Chem
J-GLOBAL ID：200907038802961305   Nikkaji number：J340.776D

Gymnemic acid V

ギムネマ酸V
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： C46H70O14
Molecular formula furigana： C46-H70-O14
Molecular weight： 847.052
InChI： InChI=1S/C46H70O14/c1-11-23(3)38(55)59-35-36(60-39(56)24(4)12-2)46(22-48)26(19-41(35,5)6)25-13-14-28-42(7)17-16-30(57-40-33(52)31(50)32(51)34(58-40)37(53)54)43(8,21-47)27(42)15-18-44(28,9)45(25,10)20-29(46)49/h11-13,26-36,40,47-52H,14-22H2,1-10H3,(H,53,54)/t26-,27+,28+,29-,30-,31-,32-,33+,34-,35-,36-,40+,42-,43-,44+,45+,46-/m0/s1
InChI key： HCTZEWPNCZGSAE-QYWDKUFMSA-N
SMILES： CC=C(C)C(=O)O[C@H]1[C@H](OC(=O)C(=CC)C)[C@]2(CO)[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  (4)：
  • 16β,23,28-トリヒドロキシ-21β,22α-ビス(2-メチル-1-オキソ-2-ブテニルオキシ)オレアナ-12-エン-3β-イルβ-D-グルコピラノシドウロン酸
  • 3β-(β-D-グルコピラヌロノシルオキシ)-21β,22α-ジ(2-メチル-2-ブテノイルオキシ)オレアナ-12-エン-16β,23,28-トリオール
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,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-9,10-ビス[(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,9R,10R,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9,10-bis[(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 (4)：
  • Gymnemic acid V
  • ギムネマ酸V
  • 16β,23,28-Trihydroxy-21β,22α-bis(2-methyl-1-oxo-2-butenyloxy)olean-12-en-3β-yl β-D-glucopyranosiduronic acid
  • 3β-(β-D-Glucopyranuronosyloxy)-21β,22α-di(2-methyl-2-butenoyloxy)oleana-12-ene-16β,23,28-triol
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