Chem
J-GLOBAL ID：200907086863698393   Nikkaji number：J882.023F

Gymnemasaponin IV

ギムネマサポニンIV
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： C48H80O19
Molecular formula furigana： C48-H80-O19
Molecular weight： 961.149
InChI： InChI=1S/C48H80O19/c1-43(2)13-14-48(21-64-42-38(60)35(57)32(54)25(18-50)66-42)23(15-43)22-7-8-28-44(3)11-10-29(51)45(4,27(44)9-12-46(28,5)47(22,6)16-30(48)52)20-63-41-39(61)36(58)33(55)26(67-41)19-62-40-37(59)34(56)31(53)24(17-49)65-40/h7,23-42,49-61H,8-21H2,1-6H3/t23-,24+,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41+,42+,44-,45-,46+,47+,48+/m0/s1
InChI key： BLBIUXNCYVEVPT-MGBQWMAWSA-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]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@@]34C)[C@@H]2C1
Systematic name  (3)：
  • 23-[(6-O-β-D-グルコピラノシル-β-D-グルコピラノシル)オキシ]-28-(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-({[(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)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-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)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IV
  • Gymnemasaponin IV
  • 23-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-28-(β-D-glucopyranosyloxy)olean-12-ene-3β,16β-diol
CAS registry number： 133629-83-1
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