Chem
J-GLOBAL ID：200907052603314212
Nikkaji number：J1.029.118F
Oleana-11,13(18)-diene-3β,30-diol bis[2-(hydroxycarbonyl)benzoate]
オレアナ-11,13(18)-ジエン-3β,30-ジオールビス[2-(ヒドロキシカルボニル)ベンゾアート]
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
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
Molecular formula： C46H56O8
Molecular formula furigana： C46-H56-O8
Molecular weight： 736.946
InChI：
InChI=1S/C46H56O8/c1-41(2)34-18-21-46(7)35(44(34,5)20-19-36(41)54-40(52)31-15-11-9-13-29(31)38(49)50)17-16-32-33-26-42(3,22-23-43(33,4)24-25-45(32,46)6)27-53-39(51)30-14-10-8-12-28(30)37(47)48/h8-17,34-36H,18-27H2,1-7H3,(H,47,48)(H,49,50)/t34-,35+,36-,42-,43+,44-,45+,46+/m0/s1
InChI key：
AKEMIRQFANFFKU-NCYRAAIKSA-N
SMILES：
C[C@]1(COC(=O)c2ccccc2C(=O)O)CC[C@]2(C)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](OC(=O)c4ccccc4C(=O)O)C(C)(C)[C@@H]2CC[C@@]31C
Systematic name (3)：
- オレアナ-11,13(18)-ジエン-3β,30-ジオールビス[2-(ヒドロキシカルボニル)ベンゾアート]
- 2-({[(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR)-10-(2-カルボキシベンゾイルオキシ)-2,4a,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,12b-オクタデカヒドロピセン-2-イル]メトキシ}カルボニル)安息香酸
- 2-({[(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR)-10-(2-carboxybenzoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b-octadecahydropicen-2-yl]methoxy}carbonyl)benzoic acid
- Oleana-11,13(18)-diene-3β,30-diol bis[2-(hydroxycarbonyl)benzoate]
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