Chem
J-GLOBAL ID：200907033731101081   Nikkaji number：J607.631I

19β-Methyl-3β,19,23,24-tetrahydroxy-30-norolean-12-en-28-oic acid methyl ester

19β-メチル-3β,19,23,24-テトラヒドロキシ-30-ノルオレアナ-12-エン-28-酸メチル
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/c1-19-9-14-30(25(35)37-6)16-15-27(3)20(24(30)29(19,5)36)7-8-21-26(2)12-11-23(34)31(17-32,18-33)22(26)10-13-28(21,27)4/h7,19,21-24,32-34,36H,8-18H2,1-6H3/t19-,21-,22-,23+,24-,26-,27-,28-,29-,30+/m1/s1
InChI key： TXJQTZQVBOZFPM-MXJSZYKRSA-N
SMILES： COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(CO)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Systematic name  (3)：
  • 19β-メチル-3β,19,23,24-テトラヒドロキシ-30-ノルオレアナ-12-エン-28-酸メチル
  • メチル (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-ジヒドロキシ-9,9-ビス(ヒドロキシメチル)-1,2,6a,6b,12a-ペンタメチル-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-カルボキシラート
  • methyl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-dihydroxy-9,9-bis(hydroxymethyl)-1,2,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (1)：
  • 19β-Methyl-3β,19,23,24-tetrahydroxy-30-norolean-12-en-28-oic acid methyl ester
Thsaurus map：
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