Chem
J-GLOBAL ID：200907084040833969   Nikkaji number：J1.784.092D

Kuzusapogenol B-methyl

クズサポゲノールB-メチル
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： C31H50O6
Molecular formula furigana： C31-H50-O6
Molecular weight： 518.735
InChI： InChI=1S/C31H50O6/c1-26-14-15-30(5)18(19(26)16-28(3,25(36)37-7)24(35)23(26)34)8-9-21-27(2)12-11-22(33)29(4,17-32)20(27)10-13-31(21,30)6/h8,19-24,32-35H,9-17H2,1-7H3/t19-,20+,21+,22-,23+,24-,26+,27-,28+,29+,30+,31+/m0/s1
InChI key： ZHPWCPSYOWJYIZ-OJNGHEOSSA-N
SMILES： COC(=O)[C@]1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 3β,21β,22β,24-テトラヒドロキシオレアナ-12-エン-30-酸メチル
  • メチル (2R,3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-3,4,10-トリヒドロキシ-9-(ヒドロキシメチル)-2,4a,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-2-カルボキシラート
  • methyl (2R,3R,4S,4aR,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-3,4,10-trihydroxy-9-(hydroxymethyl)-2,4a,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-2-carboxylate
Other name (3)：
  • 3β,21β,22β,24-Tetrahydroxyoleana-12-ene-30-oic acid methyl ester
  • Kuzusapogenol B-methyl
  • クズサポゲノールB-メチル
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