Chem
J-GLOBAL ID：201507009859892498
Nikkaji number：J3.343.481B
(4bα,10aα)-1-Chloro-2-oxo-4aβ-methyl-5β-(benzyloxy)-8-methylene-8aβ-cyanotetradecahydrophenanthrene-1-carboxylic acid ethyl ester
(4bα,10aα)-1-クロロ-2-オキソ-4aβ-メチル-5β-(ベンジルオキシ)-8-メチレン-8aβ-シアノテトラデカヒドロフェナントレン-1-カルボン酸エチル
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： C27H32ClNO4
Molecular formula furigana： C27-H32-CL-N-O4
Molecular weight： 470.010
InChI：
InChI=1S/C27H32ClNO4/c1-4-32-24(31)27(28)21-12-15-26(17-29)18(2)10-11-20(33-16-19-8-6-5-7-9-19)23(26)25(21,3)14-13-22(27)30/h5-9,20-21,23H,2,4,10-16H2,1,3H3/t20-,21+,23+,25-,26+,27?/m0/s1
InChI key：
XLOKFLWVGHJMTR-PFNOPUFXSA-N
SMILES：
CCOC(=O)C1(Cl)[C@@H]2CC[C@]3(C#N)[C@H]([C@H](CCC3=C)OCc3ccccc3)[C@@]2(C)CCC1=O
Systematic name (3)：
- (4bα,10aα)-1-クロロ-2-オキソ-4aβ-メチル-5β-(ベンジルオキシ)-8-メチレン-8aβ-シアノテトラデカヒドロフェナントレン-1-カルボン酸エチル
- エチル (4aR,4bR,5S,8aS,10aR)-5-(ベンジルオキシ)-1-クロロ-8a-シアノ-4a-メチル-8-メチリデン-2-オキソ-テトラデカヒドロフェナントレン-1-カルボキシラート
- ethyl (4aR,4bR,5S,8aS,10aR)-5-(benzyloxy)-1-chloro-8a-cyano-4a-methyl-8-methylidene-2-oxo-tetradecahydrophenanthrene-1-carboxylate
- (4bα,10aα)-1-Chloro-2-oxo-4aβ-methyl-5β-(benzyloxy)-8-methylene-8aβ-cyanotetradecahydrophenanthrene-1-carboxylic acid ethyl ester
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