CAS号:78214-33-2-(S型)人参皂苷Rh2 - Ginsenoside Rh2-科华智慧

1. 主信息

英文名:	Ginsenoside Rh2
中文名:	(S型)人参皂苷Rh2
CAS编号:	78214-33-2
化学分子式：	C₃₆H₆₂O₈
化学分子量：	622.9 g/mol
SMILES：	CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)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 Rh2 ginsenoside-Rh2

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	-
科华智慧	100mg	HPLC≥98%	864	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 106110 0 1 0 0 0 0 0999 V2000 3.3535 2.3267 1.7194 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8447 -1.2546 0.6421 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 2.6813 1.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8248 0.8568 0.4824 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 -2.4334 -0.0407 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6021 -0.7345 0.7396 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2407 1.9585 -0.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2951 3.4834 -0.1314 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 -0.6674 -0.9292 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8020 0.3696 -1.4958 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7498 0.1262 0.0467 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5402 -0.6648 0.5453 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5773 1.0023 -0.3070 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2808 -1.2008 -0.7416 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8828 -1.2895 -2.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5341 0.8803 1.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7745 1.7241 -0.9579 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6449 1.7965 0.6049 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9914 -0.2070 -2.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3486 -2.0761 -1.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7245 -1.7918 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0811 0.8771 -2.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 0.3358 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4315 -1.8454 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 1.4572 -2.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1798 -1.7702 1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 -0.7355 0.2564 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8997 -0.2150 1.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 1.8289 -0.0601 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7351 -3.1544 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4113 -2.0301 -1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4614 0.4563 0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 2.4907 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7391 0.5040 1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9098 -0.5026 0.0613 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2291 -1.1241 0.5196 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1576 -0.8768 1.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4254 -0.2883 0.0641 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8516 1.6716 -0.0859 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2239 1.1912 0.3923 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9201 -1.7506 1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5801 3.1128 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3043 -3.1211 1.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 -1.3974 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 0.9297 -0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9716 0.1896 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4631 -0.3029 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5094 -0.5088 -2.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 -1.9421 -2.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8573 1.5074 1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9741 0.1805 1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4630 2.7345 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2065 2.6445 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4022 -1.1121 -1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 -0.4505 -3.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0529 -2.9891 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 -2.4078 -2.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0222 1.5227 -3.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0689 0.4121 -2.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0789 0.6504 2.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6023 1.2453 0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9487 -1.5431 0.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7474 -2.6420 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1562 -2.3453 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2887 1.9544 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8384 2.2593 -2.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8134 1.0238 -3.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9558 -1.9177 2.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7216 -1.5310 2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 -2.7454 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 0.1272 -0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5158 0.5823 1.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 -0.9946 2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7353 -3.6040 0.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -3.8688 -0.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4606 -3.0797 1.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9302 -2.8339 -2.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 -1.1238 -2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 -2.3313 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 2.8330 2.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5978 -0.2662 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7006 0.0446 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6231 1.8231 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7951 3.3781 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9325 2.8645 -0.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4723 2.8674 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5707 1.0988 2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5658 0.9913 0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 -0.5586 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2376 -1.2451 1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7819 -1.1878 2.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6162 -0.4286 -1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7738 1.6169 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3279 1.3463 1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3111 -2.3487 -1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3187 3.8005 -0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5796 3.2077 1.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4565 -0.6386 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1484 1.8385 -1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8975 -3.3272 2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3935 -3.2134 1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -3.8871 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1661 -2.1732 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0837 -0.4509 -0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5434 -1.3439 -0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 4.4009 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 80 1 0 0 0 0 2 27 1 0 0 0 0 2 35 1 0 0 0 0 3 29 1 0 0 0 0 3 86 1 0 0 0 0 4 35 1 0 0 0 0 4 39 1 0 0 0 0 5 36 1 0 0 0 0 5 95 1 0 0 0 0 6 38 1 0 0 0 0 6 98 1 0 0 0 0 7 40 1 0 0 0 0 7 99 1 0 0 0 0 8 42 1 0 0 0 0 8106 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 12 26 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 46 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 47 1 0 0 0 0 15 20 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 22 1 0 0 0 0 17 29 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 19 22 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 27 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 28 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 32 34 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 33 83 1 0 0 0 0 33 84 1 0 0 0 0 33 85 1 0 0 0 0 34 37 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 36 1 0 0 0 0 35 89 1 0 0 0 0 36 38 1 0 0 0 0 36 90 1 0 0 0 0 37 41 2 0 0 0 0 37 91 1 0 0 0 0 38 40 1 0 0 0 0 38 92 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 39 93 1 0 0 0 0 40 94 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 42 96 1 0 0 0 0 42 97 1 0 0 0 0 43100 1 0 0 0 0 43101 1 0 0 0 0 43102 1 0 0 0 0 44103 1 0 0 0 0 44104 1 0 0 0 0 44105 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,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-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-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

4.2 InChl

InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26-,27-,28+,29-,30+,31-,33-,34+,35+,36-/m0/s1

4.3 InChlKey

CKUVNOCSBYYHIS-IRFFNABBSA-N

4.4 Canonical SMILES

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)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(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 44 48 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 4.87407 4.77723 0 0
M  V30 2 C 5.83604 4.77723 0 0
M  V30 3 C 6.31703 3.94414 0 0
M  V30 4 C 5.83604 3.11104 0 0
M  V30 5 C 6.31703 2.27795 0 0
M  V30 6 C 5.83604 1.44486 0 0
M  V30 7 C 5.83604 0.482882 0 0
M  V30 8 C 5.00295 1.92584 0 0
M  V30 9 C 5.00238 2.88782 0 0
M  V30 10 C 4.16894 3.369 0 0
M  V30 11 C 3.33555 1.92552 0 0
M  V30 12 C 4.16899 1.44434 0 0
M  V30 13 C 4.16897 0.481352 0 0
M  V30 14 C 3.33501 -0.000154902 0 0
M  V30 15 C 2.50157 0.481031 0 0
M  V30 16 C 2.50159 1.44401 0 0
M  V30 17 C 1.66765 1.92549 0 0
M  V30 18 C 0.833685 1.44399 0 0
M  V30 19 C 0.833668 0.481001 0 0
M  V30 20 C 1.66761 -0.000476063 0 0
M  V30 21 C 1.66789 -0.962955 0 0
M  V30 22 C 0.834218 -1.44396 0 0
M  V30 23 C 0.000274855 -0.962479 0 0
M  V30 24 C 0 -0 0 0
M  V30 25 C -0.854566 0.493384 0 0
M  V30 26 C -0.854707 -0.49314 0 0
M  V30 27 O -0.833393 -1.44348 0 0
M  V30 28 C -1.54847 -0.799252 0 0
M  V30 29 C -2.46393 -1.09641 0 0
M  V30 30 C -3.179 -0.452184 0 0
M  V30 31 C -2.97862 0.489205 0 0
M  V30 32 C -2.06317 0.786365 0 0
M  V30 33 O -1.34809 0.142137 0 0
M  V30 34 C -1.86279 1.72775 0 0
M  V30 35 O -2.57787 2.37198 0 0
M  V30 36 O -3.6937 1.13343 0 0
M  V30 37 O -4.09446 -0.749345 0 0
M  V30 38 O -2.66431 -2.0378 0 0
M  V30 39 C 2.51596 -0.490272 0 0
M  V30 40 C 2.50162 3.4032 0 0
M  V30 41 O 5.01732 -0.00844416 0 0
M  V30 42 C 2.4872 2.41532 0 0
M  V30 43 O 6.66913 0.963869 0 0
M  V30 44 C 6.31703 5.61032 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 44
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 43
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 42
M  V30 17 1 12 13
M  V30 18 1 13 14
M  V30 19 1 13 41
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 40
M  V30 25 1 17 18
M  V30 26 1 18 19
M  V30 27 1 19 24
M  V30 28 1 19 20
M  V30 29 1 20 21
M  V30 30 1 20 39
M  V30 31 1 21 22
M  V30 32 1 22 23
M  V30 33 1 23 24
M  V30 34 1 23 27
M  V30 35 1 24 25
M  V30 36 1 24 26
M  V30 37 1 27 28
M  V30 38 1 28 33
M  V30 39 1 28 29
M  V30 40 1 29 30
M  V30 41 1 29 38
M  V30 42 1 30 31
M  V30 43 1 30 37
M  V30 44 1 31 32
M  V30 45 1 31 36
M  V30 46 1 32 33
M  V30 47 1 32 34
M  V30 48 1 34 35
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

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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