Chem
J-GLOBAL ID：200907030904250402   Nikkaji number：J708.817E

Gymnemasin C

ギムネマシンC
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C41H64O12
Molecular formula furigana： C41-H64-O12
Molecular weight： 748.951
InChI： InChI=1S/C41H64O12/c1-9-21(2)34(50)51-28-18-36(3,4)16-23-22-10-11-25-37(5)14-13-27(52-35-31(47)29(45)30(46)32(53-35)33(48)49)38(6,19-42)24(37)12-15-39(25,7)40(22,8)17-26(44)41(23,28)20-43/h9-10,23-32,35,42-47H,11-20H2,1-8H3,(H,48,49)/b21-9+/t23-,24+,25+,26-,27-,28-,29-,30-,31+,32-,35+,37-,38-,39+,40+,41-/m0/s1
InChI key： MPEBNLCBBCTOHQ-CQGXYNFHSA-N
SMILES： C/C=C(\C)/C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]12CO
Systematic name  (3)：
  • チグリン酸[3β-(β-D-グルコピラヌロノシルオキシ)-16β,23,28-トリヒドロキシオレアナ-12-エン]-22α-イル
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aR,9S,12aS,14aR,14bR)-8-ヒドロキシ-4,8a-ビス(ヒドロキシメチル)-4,6a,6b,11,11,14b-ヘキサメチル-9-{[(2E)-2-メチルブタ-2-エノイル]オキシ}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aR,9S,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-{[(2E)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (3)：
  • ギムネマシンC
  • Gymnemasin C
  • Tiglic acid [3β-(β-D-glucopyranuronosyloxy)-16β,23,28-trihydroxyolean-12-en]-22α-yl ester
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