Chem
J-GLOBAL ID：200907022684534088
Nikkaji number：J1.003.622D
3β-(3-Methyl-3-ethyl-4-carboxybutyryloxy)oleana-12-ene-28-oic acid
3β-(3-メチル-3-エチル-4-カルボキシブチリルオキシ)オレアナ-12-エン-28-酸
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： C38H60O6
Molecular formula furigana： C38-H60-O6
Molecular weight： 612.892
InChI：
InChI=1S/C38H60O6/c1-10-34(6,22-29(39)40)23-30(41)44-28-14-15-35(7)26(33(28,4)5)13-16-37(9)27(35)12-11-24-25-21-32(2,3)17-19-38(25,31(42)43)20-18-36(24,37)8/h11,25-28H,10,12-23H2,1-9H3,(H,39,40)(H,42,43)/t25-,26-,27+,28-,34?,35-,36+,37+,38-/m0/s1
InChI key：
SVXSTISDCCZLCC-LIDJKNRJSA-N
SMILES：
CCC(C)(CC(=O)O)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(=O)O)C1(C)C
Systematic name (3)：
- 3β-(3-メチル-3-エチル-4-カルボキシブチリルオキシ)オレアナ-12-エン-28-酸
- (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(4-カルボキシ-3-エチル-3-メチルブタノイル)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,12b,13,14b-イコサヒドロピセン-4a-カルボン酸
- (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-[(4-carboxy-3-ethyl-3-methylbutanoyl)oxy]-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,12b,13,14b-icosahydropicene-4a-carboxylic acid
- 3β-(3-Methyl-3-ethyl-4-carboxybutyryloxy)oleana-12-ene-28-oic acid
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