Chem
J-GLOBAL ID:200907049980443204   Nikkaji number:J2.318.718C

3β-Acetoxy-27-(4-hydroxybenzoyloxy)lupa-20(29)-ene-28-oic acid methyl ester

3β-アセトキシ-27-(4-ヒドロキシベンゾイルオキシ)ルパ-20(29)-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: C40H56O7
Molecular formula furigana: C40-H56-O7
Molecular weight: 648.881
InChI: InChI=1S/C40H56O7/c1-24(2)28-15-20-39(35(44)45-8)21-22-40(23-46-34(43)26-9-11-27(42)12-10-26)29(33(28)39)13-14-31-37(6)18-17-32(47-25(3)41)36(4,5)30(37)16-19-38(31,40)7/h9-12,28-33,42H,1,13-23H2,2-8H3/t28-,29+,30-,31+,32-,33+,37-,38+,39-,40-/m0/s1
InChI key: FLPFXLLWHPWTLG-BIECZKHRSA-N
SMILES: COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(COC(=O)c1ccc(O)cc1)CC2)C(=C)C
Systematic name  (3):
  • 3β-アセトキシ-27-(4-ヒドロキシベンゾイルオキシ)ルパ-20(29)-エン-28-酸メチル
  • [(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(アセチルオキシ)-3a-(メトキシカルボニル)-5b,8,8,11a-テトラメチル-1-(プロパ-1-エン-2-イル)-イコサヒドロ-1H-シクロペンタ[a]クリセン-5a-イル]メチル 4-ヒドロキシベンゾアート
  • [(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(acetyloxy)-3a-(methoxycarbonyl)-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-5a-yl]methyl 4-hydroxybenzoate
Other name (1):
  • 3β-Acetoxy-27-(4-hydroxybenzoyloxy)lupa-20(29)-ene-28-oic acid methyl ester
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