CAS号:80952-71-2-(R型)人参皂苷Rh1 - (20R)-Ginsenoside Rh1-科华智慧

1. 主信息

英文名:	(20R)-Ginsenoside Rh1
中文名:	(R型)人参皂苷Rh1
CAS编号:	80952-71-2
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：	-

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≥95%	400	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 -3.0553 0.1375 -1.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3793 1.2335 1.3968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5212 5.3858 0.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8097 -0.5405 1.2643 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7035 -1.7110 0.1071 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7145 0.4045 -2.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1450 -2.1712 -2.0864 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8977 -3.4620 0.4883 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9993 -3.9802 2.5632 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4659 -0.1220 0.2054 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7611 -0.7642 -0.4873 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7169 1.4356 0.3581 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5388 2.3051 0.8189 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0052 -0.4787 0.3959 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7350 1.9990 -0.1832 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7956 -0.3349 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 1.7325 1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 -1.3711 -0.1936 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2723 1.0169 0.5268 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0326 0.4702 -0.2242 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8477 -2.3056 -0.5525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9848 2.9751 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3497 -2.6164 -0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1681 3.8127 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -0.8054 1.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9556 -0.2546 -1.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8951 2.0502 2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 4.4507 -0.1284 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3449 4.7661 0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2067 -1.7512 0.7994 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9608 2.7945 -1.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 2.7328 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2939 -2.6516 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5853 -2.4585 2.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1533 -0.5132 -0.5216 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9807 -2.0480 -1.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1996 -0.8293 -1.5904 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3460 -1.6624 -1.0171 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7535 -2.3999 0.7885 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7224 -0.7895 -0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8183 -2.8513 -0.2140 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1282 -3.5837 1.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5715 0.4344 -1.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3466 1.6568 -0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5774 0.6628 -2.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 1.8092 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 -0.8401 1.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 2.2299 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 -0.0548 -1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0477 -1.4029 -0.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9551 1.4697 2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2598 2.8056 1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5549 -0.8347 -1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5328 1.4520 -0.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3308 0.1535 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 -2.7844 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2626 -2.7337 -1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 -2.7621 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -3.5668 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5825 4.0926 1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2891 3.9909 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0932 -1.8894 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 -0.5020 2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9669 -0.6059 2.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1707 -0.6399 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8953 -0.5895 -2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 0.8328 -2.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 1.2794 2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 1.7658 2.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2931 2.9381 2.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1286 4.6536 -1.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9931 5.7904 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 4.7894 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 2.0868 -1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4454 2.4874 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 3.7254 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8210 3.1886 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9705 1.6766 1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 3.1818 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 2.1929 1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 -2.8579 0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8747 -3.6257 -0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3879 -2.8475 2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9453 -3.3100 1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.7719 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5892 0.1511 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 6.2792 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 -0.7736 1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2612 -1.9419 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7230 -2.7708 -1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7343 -1.3448 -2.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0140 -1.0466 -0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1991 -1.7275 1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -0.9035 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4069 -3.6025 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3323 0.7645 -1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 -3.2981 1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9467 -4.4294 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5747 -2.7110 -2.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2625 -2.8070 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 1.4413 -0.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6654 2.4439 -0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 2.0367 -1.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0203 1.3123 -3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2588 -0.2342 -2.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 1.1708 -1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5785 -4.7291 3.0187 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-[(2R)-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-PQYWRUIPSA-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
人参	Ginseng	Radix Ginseng
人参叶	Ginseng Leaf	Folium Ginseng
西洋参	American Ginseng	Radix Pacis quinquefolii

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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