Chem
J-GLOBAL ID：201507089700348723   Nikkaji number：J3.343.484G

(4bβ,10aβ)-1-Chloro-2-oxo-4aα-methyl-5β-(benzyloxy)-8-methylene-8aα-cyanotetradecahydrophenanthrene-1-carboxylic acid methyl ester

(4bβ,10aβ)-1-クロロ-2-オキソ-4aα-メチル-5β-(ベンジルオキシ)-8-メチレン-8aα-シアノテトラデカヒドロフェナントレン-1-カルボン酸メチル
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： C26H30ClNO4
Molecular formula furigana： C26-H30-CL-N-O4
Molecular weight： 455.980
InChI： InChI=1S/C26H30ClNO4/c1-17-9-10-19(32-15-18-7-5-4-6-8-18)22-24(2)13-12-21(29)26(27,23(30)31-3)20(24)11-14-25(17,22)16-28/h4-8,19-20,22H,1,9-15H2,2-3H3/t19-,20-,22-,24+,25-,26?/m0/s1
InChI key： XHALAXDEDJUSES-INDWJDFCSA-N
SMILES： COC(=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)：
  • (4bβ,10aβ)-1-クロロ-2-オキソ-4aα-メチル-5β-(ベンジルオキシ)-8-メチレン-8aα-シアノテトラデカヒドロフェナントレン-1-カルボン酸メチル
  • メチル (4aS,4bS,5S,8aR,10aS)-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
  • methyl (4aS,4bS,5S,8aR,10aS)-5-(benzyloxy)-1-chloro-8a-cyano-4a-methyl-8-methylidene-2-oxo-tetradecahydrophenanthrene-1-carboxylate
Other name (1)：
  • (4bβ,10aβ)-1-Chloro-2-oxo-4aα-methyl-5β-(benzyloxy)-8-methylene-8aα-cyanotetradecahydrophenanthrene-1-carboxylic acid methyl ester
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