Chem
J-GLOBAL ID:200907002553995836   Nikkaji number:J1.061.439B

3β-(2-O,6-O-Di-β-D-glucopyranosyl-β-D-galactopyranosyloxy)-23-hydroxyoleana-12-ene-28-oic acid

3β-(2-O,6-O-ジ-β-D-グルコピラノシル-β-D-ガラクトピラノシルオキシ)-23-ヒドロキシオレアナ-12-エン-28-酸
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: C48H78O19
Molecular formula furigana: C48-H78-O19
Molecular weight: 959.133
InChI: InChI=1S/C48H78O19/c1-43(2)13-15-48(42(60)61)16-14-46(5)22(23(48)17-43)7-8-28-44(3)11-10-29(45(4,21-51)27(44)9-12-47(28,46)6)66-41-38(67-40-37(59)34(56)31(53)25(19-50)64-40)35(57)32(54)26(65-41)20-62-39-36(58)33(55)30(52)24(18-49)63-39/h7,23-41,49-59H,8-21H2,1-6H3,(H,60,61)/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41-,44-,45-,46+,47+,48-/m0/s1
InChI key: NLAAMLBNJFJLLB-LPCFSSAOSA-N
SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[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]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (3):
  • 3β-(2-O,6-O-ジ-β-D-グルコピラノシル-β-D-ガラクトピラノシルオキシ)-23-ヒドロキシオレアナ-12-エン-28-酸
  • (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5R,6R)-4,5-ジヒドロキシ-3-{[(2S,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}-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}-9-(ヒドロキシメチル)-2,2,6a,6b,9,12a-ヘキサメチル-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-カルボン酸
  • (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (1):
  • 3β-(2-O,6-O-Di-β-D-glucopyranosyl-β-D-galactopyranosyloxy)-23-hydroxyoleana-12-ene-28-oic acid
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