Chem
J-GLOBAL ID:200907003147411765   Nikkaji number:J1.856.613C

3β-Acetoxyoleana-9(11)-ene-28-oic acid methyl ester

3β-アセトキシオレアナ-9(11)-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: C33H52O4
Molecular formula furigana: C33-H52-O4
Molecular weight: 512.775
InChI: InChI=1S/C33H52O4/c1-21(34)37-26-13-14-30(6)24(29(26,4)5)12-15-32(8)25(30)11-10-22-23-20-28(2,3)16-18-33(23,27(35)36-9)19-17-31(22,32)7/h11,22-24,26H,10,12-20H2,1-9H3/t22-,23+,24+,26+,30+,31-,32-,33+/m1/s1
InChI key: ZUUWBNWXHRYIMS-MHLNFZTKSA-N
SMILES: COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1CC=C3[C@@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Systematic name  (3):
  • 3β-アセトキシオレアナ-9(11)-エン-28-酸メチル
  • メチル (4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(アセチルオキシ)-2,2,6a,6b,9,9,12a-ヘプタメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-イコサヒドロピセン-4a-カルボキシラート
  • methyl (4aS,6aR,6bS,8aR,10S,12aS,14aR,14bS)-10-(acetyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4a-carboxylate
Other name (1):
  • 3β-Acetoxyoleana-9(11)-ene-28-oic acid methyl ester
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