Chem
J-GLOBAL ID：200907085172641640   Nikkaji number：J882.022H

Gymnemasaponin II

ギムネマサポニン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： C42H70O14
Molecular formula furigana： C42-H70-O14
Molecular weight： 799.008
InChI： InChI=1S/C42H70O14/c1-37(2)13-14-42(20-54-36-34(52)32(50)30(48)24(18-44)56-36)22(15-37)21-7-8-26-38(3)11-10-27(45)39(4,19-53-35-33(51)31(49)29(47)23(17-43)55-35)25(38)9-12-40(26,5)41(21,6)16-28(42)46/h7,22-36,43-52H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,38-,39-,40+,41+,42+/m0/s1
InChI key： MPYXSUXOGIBNAU-DZRQGSMDSA-N
SMILES： CC1(C)CC[C@]2(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@@]34C)[C@@H]2C1
Systematic name  (3)：
  • 23,28-ジ(β-D-グルコピラノシルオキシ)オレアナ-12-エン-3β,16β-ジオール
  • (2R,3R,4S,5S,6R)-2-{[(4aS,5S,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-5,10-ジヒドロキシ-2,2,6a,6b,9,12a-ヘキサメチル-9-({[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-イル]メトキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-{[(4aS,5S,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-4a-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (3)：
  • ギムネマサポニンII
  • Gymnemasaponin II
  • 23,28-Di(β-D-glucopyranosyloxy)olean-12-ene-3β,16β-diol
CAS registry number： 133629-81-9
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