CAS号:63223-86-9-(S型)人参皂苷Rh1 - Ginsenoside Rh1-科华智慧

1. 主信息

英文名:	Ginsenoside Rh1
中文名:	(S型)人参皂苷Rh1
CAS编号:	63223-86-9
化学分子式：	C₃₆H₆₂O₉
化学分子量：	638.9 g/mol
SMILES：	CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)O)C
来源：	三七人参
结构类型：	三萜类
其它名称或标识：	ginsenoside G-Rh(1) ginsenoside Rh(1) ginsenoside Rh1

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	320	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 107111 0 1 0 0 0 0 0999 V2000 3.5259 0.0864 0.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0516 2.4444 0.7619 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9003 4.8050 -2.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6654 0.8906 1.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -2.1069 0.0371 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2186 -0.6752 0.0467 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -3.5250 0.6487 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7212 -5.1649 -0.7289 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7907 -3.6158 -0.9678 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2474 0.4193 0.4653 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3091 -0.0734 1.5626 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2825 2.0019 0.4374 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8658 2.7344 -0.3890 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7192 0.4573 1.1832 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2649 2.1551 0.0595 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1852 -0.0333 0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7187 2.5342 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6812 -0.2950 2.1201 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7650 1.9830 1.1615 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2926 0.6020 -0.0304 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6215 -1.5852 1.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5304 2.9091 -0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0107 -1.6785 2.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8124 4.2618 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5843 -0.1972 -0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8933 0.3483 3.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6354 2.6049 -1.9134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 4.4422 -0.7373 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1647 4.9400 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 -0.4238 1.5879 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7128 2.8170 0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0284 2.2764 -1.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1569 -1.0631 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9508 -1.2506 2.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -1.1358 -0.1795 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5751 -1.2794 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2058 -1.6140 0.4079 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5830 -2.9970 -0.1235 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1375 -3.3503 -0.6083 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5427 -1.9706 -1.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 -3.9691 -0.0198 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9251 -4.2547 -0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5517 -1.4008 -2.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5177 -2.1502 -4.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6142 0.0964 -3.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0596 2.3155 1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9305 0.1315 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 2.3660 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 0.2412 1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 -1.1212 0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 2.2983 -0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7479 3.6281 0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7152 0.2259 3.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 2.3859 2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 0.3130 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7051 -2.0423 0.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8693 -2.1546 2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8949 -1.8867 3.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -2.5295 1.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2638 4.8088 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 4.4271 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6463 -1.2864 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 -0.0117 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5207 0.1723 -1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0078 -0.1837 3.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6515 0.1045 3.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7067 1.4177 3.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 1.6708 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 2.6862 -2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 3.3940 -2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1735 5.0069 -0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4762 4.7847 1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0284 6.0219 0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0702 1.7979 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4336 3.2223 1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 3.3895 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8483 2.8684 -2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 1.2681 -1.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 2.2219 -2.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 3.4166 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6726 -0.4016 -0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6238 -2.0189 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0235 -1.1308 2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8032 -0.8993 3.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7143 -2.3184 2.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9871 -0.9460 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7871 5.7704 -2.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6154 0.8167 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1339 -0.3404 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1488 -1.9306 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1591 -1.6227 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9482 -2.9338 -1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2508 -3.1654 -1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4888 -3.0573 -1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 -4.2437 1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2687 -0.6440 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 -4.4140 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 -5.2224 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 -3.5766 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8511 -4.9341 -1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4942 -3.2332 -4.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6272 -1.8771 -4.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4057 -1.9186 -4.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5956 0.3947 -3.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4276 0.6497 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8545 0.4324 -3.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0278 -4.1986 -0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 35 1 0 0 0 0 2 19 1 0 0 0 0 2 80 1 0 0 0 0 3 28 1 0 0 0 0 3 87 1 0 0 0 0 4 30 1 0 0 0 0 4 88 1 0 0 0 0 5 35 1 0 0 0 0 5 39 1 0 0 0 0 6 37 1 0 0 0 0 6 96 1 0 0 0 0 7 38 1 0 0 0 0 7 99 1 0 0 0 0 8 41 1 0 0 0 0 8100 1 0 0 0 0 9 42 1 0 0 0 0 9107 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 25 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 47 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 48 1 0 0 0 0 16 20 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 21 23 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 28 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 24 29 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 29 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 31 74 1 0 0 0 0 31 75 1 0 0 0 0 31 76 1 0 0 0 0 32 77 1 0 0 0 0 32 78 1 0 0 0 0 32 79 1 0 0 0 0 33 36 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 37 1 0 0 0 0 35 86 1 0 0 0 0 36 40 1 0 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 37 38 1 0 0 0 0 37 91 1 0 0 0 0 38 41 1 0 0 0 0 38 92 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 39 93 1 0 0 0 0 40 43 2 0 0 0 0 40 94 1 0 0 0 0 41 95 1 0 0 0 0 42 97 1 0 0 0 0 42 98 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 45104 1 0 0 0 0 45105 1 0 0 0 0 45106 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1

4.3 InChlKey

RAQNTCRNSXYLAH-RFCGZQMISA-N

4.4 Canonical SMILES

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)O)C

4.5 lsomeric SMILES

CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)O)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 45 49 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -1.69619 6.61037 0 0
M  V30 2 C -1.21474 7.44314 0 0
M  V30 3 C -0.252812 7.44257 0 0
M  V30 4 C 0.227661 6.60923 0 0
M  V30 5 C 1.18959 6.60867 0 0
M  V30 6 C 1.67006 5.77533 0 0
M  V30 7 C 2.50283 5.29387 0 0
M  V30 8 C 0.836724 5.29486 0 0
M  V30 9 C 0.00367059 5.77582 0 0
M  V30 10 C -0.830011 5.29515 0 0
M  V30 11 C 0.00249261 3.85125 0 0
M  V30 12 C 0.836174 4.33192 0 0
M  V30 13 C 1.66981 3.84994 0 0
M  V30 14 C 1.66926 2.887 0 0
M  V30 15 C 0.835579 2.40633 0 0
M  V30 16 C 0.00194233 2.88831 0 0
M  V30 17 C -0.832245 2.40735 0 0
M  V30 18 C -0.832795 1.44441 0 0
M  V30 19 C 0.000841773 0.962432 0 0
M  V30 20 C 0.835029 1.4434 0 0
M  V30 21 C 1.66837 0.961926 0 0
M  V30 22 C 1.66753 -0.000506235 0 0
M  V30 23 C 0.833345 -0.481469 0 0
M  V30 24 C 0 0 0 0
M  V30 25 C -0.854816 -0.492857 0 0
M  V30 26 C -0.000863016 -0.986721 0 0
M  V30 27 O 0.832482 -1.46819 0 0
M  V30 28 C 1.68984 1.93625 0 0
M  V30 29 O -1.66701 0.96343 0 0
M  V30 30 C -2.60878 1.16419 0 0
M  V30 31 C -3.25354 0.448968 0 0
M  V30 32 C -4.19531 0.649728 0 0
M  V30 33 C -4.49234 1.56571 0 0
M  V30 34 C -3.84759 2.28093 0 0
M  V30 35 O -2.90581 2.08017 0 0
M  V30 36 C -4.14461 3.19692 0 0
M  V30 37 O -5.08639 3.39768 0 0
M  V30 38 O -5.43412 1.76647 0 0
M  V30 39 O -4.84007 -0.0654943 0 0
M  V30 40 O -2.95651 -0.467016 0 0
M  V30 41 C -1.69487 3.86934 0 0
M  V30 42 O 2.5188 4.33944 0 0
M  V30 43 C -0.846501 3.36175 0 0
M  V30 44 O 2.5034 6.2558 0 0
M  V30 45 C -1.69521 8.27647 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 45
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 6 44
M  V30 10 1 8 12
M  V30 11 1 8 9
M  V30 12 1 9 10
M  V30 13 1 10 11
M  V30 14 1 11 16
M  V30 15 1 11 12
M  V30 16 1 11 43
M  V30 17 1 12 13
M  V30 18 1 13 14
M  V30 19 1 13 42
M  V30 20 1 14 15
M  V30 21 1 15 20
M  V30 22 1 15 16
M  V30 23 1 16 17
M  V30 24 1 16 41
M  V30 25 1 17 18
M  V30 26 1 18 19
M  V30 27 1 18 29
M  V30 28 1 19 24
M  V30 29 1 19 20
M  V30 30 1 20 21
M  V30 31 1 20 28
M  V30 32 1 21 22
M  V30 33 1 22 23
M  V30 34 1 23 24
M  V30 35 1 23 27
M  V30 36 1 24 25
M  V30 37 1 24 26
M  V30 38 1 29 30
M  V30 39 1 30 35
M  V30 40 1 30 31
M  V30 41 1 31 32
M  V30 42 1 31 40
M  V30 43 1 32 33
M  V30 44 1 32 39
M  V30 45 1 33 34
M  V30 46 1 33 38
M  V30 47 1 34 35
M  V30 48 1 34 36
M  V30 49 1 36 37
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
红参	Red Ginseng	Radix Ginseng Rubra
没药	Myrrh	Resi myrrhae;Myrrha
牡荆子	Viticis Canbifoliae Fructus	-
人参	Ginseng	Radix Ginseng
三七	Sanchi	Radix Notoginseng
桑叶	Mulberry Leaf	Folium Mori
西洋参	American Ginseng	Radix Pacis quinquefolii
西洋参茎叶	American Ginseng Stem-leaf	Panax quinquefolium

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型