Chem
J-GLOBAL ID：200907052787528414   Nikkaji number：J451.581A

Gymnemic acid II

ギムネマ酸II
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： C43H68O14
Molecular formula furigana： C43-H68-O14
Molecular weight： 809.003
InChI： InChI=1S/C43H68O14/c1-10-21(2)36(53)57-34-33(50)43(20-54-22(3)45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-28(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-27(43)46/h11,21,24-34,37,44,46-50H,10,12-20H2,1-9H3,(H,51,52)/t21-,24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1
InChI key： IWLKKMZNFBKYCF-GAZXINLWSA-N
SMILES： CC[C@H](C)C(=O)O[C@H]1[C@H](O)[C@]2(COC(=O)C)[C@@H](O)C[C@]3(C)C(=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@@]34C)[C@@H]2CC1(C)C
Systematic name  (3)：
  • [28-アセチルオキシ-16β,22α,23-トリヒドロキシ-21β-[(S)-2-メチル-1-オキソブトキシ]オレアナ-12-エン-3β-イル]β-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8a-[(アセチルオキシ)メチル]-8,9-ジヒドロキシ-4-(ヒドロキシメチル)-4,6a,6b,11,11,14b-ヘキサメチル-10-{[(2S)-2-メチルブタノイル]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,9R,10R,12aS,14aR,14bR)-8a-[(acetyloxy)methyl]-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2S)-2-methylbutanoyl]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)：
  • ギムネマ酸II
  • Gymnemic acid II
  • [28-Acetyloxy-16β,22α,23-trihydroxy-21β-[(S)-2-methyl-1-oxobutoxy]olean-12-en-3β-yl]β-D-glucopyranosiduronic acid
CAS registry number： 122144-48-3
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