Chem
J-GLOBAL ID:200907026313120081   Nikkaji number:J1.346.429D

2-Oxooleana-12-ene-28-oic acid methyl ester

2-オキソオレアナ-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: C31H48O3
Molecular formula furigana: C31-H48-O3
Molecular weight: 468.722
InChI: InChI=1S/C31H48O3/c1-26(2)13-15-31(25(33)34-8)16-14-29(6)21(22(31)19-26)9-10-24-28(5)18-20(32)17-27(3,4)23(28)11-12-30(24,29)7/h9,22-24H,10-19H2,1-8H3/t22-,23-,24+,28-,29+,30+,31-/m0/s1
InChI key: HYNQYYCAFTXIDQ-JIXSQKAMSA-N
SMILES: COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC(=O)CC(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Systematic name  (3):
  • 2-オキソオレアナ-12-エン-28-酸メチル
  • メチル (4aS,6aS,6bR,8aS,12aS,12bR,14bS)-2,2,6a,6b,9,9,12a-ヘプタメチル-11-オキソ-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 (4aS,6aS,6bR,8aS,12aS,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-11-oxo-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):
  • 2-Oxooleana-12-ene-28-oic acid methyl ester
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