Chem
J-GLOBAL ID：200907039058932667   Nikkaji number：J340.774H

Gymnemic acid III

ギムネマ酸III
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： C41H66O13
Molecular formula furigana： C41-H66-O13
Molecular weight： 766.966
InChI： InChI=1S/C41H66O13/c1-9-20(2)34(51)54-32-31(48)41(19-43)22(16-36(32,3)4)21-10-11-24-37(5)14-13-26(52-35-29(47)27(45)28(46)30(53-35)33(49)50)38(6,18-42)23(37)12-15-39(24,7)40(21,8)17-25(41)44/h10,20,22-32,35,42-48H,9,11-19H2,1-8H3,(H,49,50)/t20-,22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,35+,37-,38-,39+,40+,41-/m0/s1
InChI key： VLXWTKUXVXJELF-DDRSIQBQSA-N
SMILES： CC[C@H](C)C(=O)O[C@H]1[C@H](O)[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,22α,23,28-テトラヒドロキシ-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
  • 16β,22α,23,28-テトラヒドロキシ-21β-[(S)-2-メチル-1-オキソブチルオキシ]オレアナ-12-エン-3β-イルβ-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6R)-6-{[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8,9-ジヒドロキシ-4,8a-ビス(ヒドロキシメチル)-4,6a,6b,11,11,14b-ヘキサメチル-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)-8,9-dihydroxy-4,8a-bis(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 (5)：
  • Gymnemic acid III
  • ギムネマ酸III
  • 16β,22α,23,28-Tetrahydroxy-21β-[(S)-2-methyl-1-oxobutyloxy]olean-12-en-3β-yl β-D-glucopyranosiduronic acid
  • ギムネマ酸2
  • Gymnemic acid2
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