Chem
J-GLOBAL ID：201707019365068440   Nikkaji number：J3.640.720D

(13R)-3-Oxo-4-chloro-8-cyano-11β,18-bis(benzyloxy)-17-(2-methoxy-2-oxoethylidene)-5α-androstane-4-carboxylic acid methyl ester

(13R)-3-オキソ-4-クロロ-8-シアノ-11β,18-ビス(ベンジルオキシ)-17-(2-メトキシ-2-オキソエチリデン)-5α-アンドロスタン-4-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： C39H44ClNO7
Molecular formula furigana： C39-H44-CL-N-O7
Molecular weight： 674.230
InChI： InChI=1S/C39H44ClNO7/c1-36-18-17-32(42)39(40,35(44)46-3)30(36)16-19-37(24-41)31-15-14-28(20-33(43)45-2)38(31,25-47-22-26-10-6-4-7-11-26)21-29(34(36)37)48-23-27-12-8-5-9-13-27/h4-13,20,29-31,34H,14-19,21-23,25H2,1-3H3/t29-,30+,31-,34+,36-,37+,38-,39?/m0/s1
InChI key： YPOVDTKXFSDIIF-CNBXYDAOSA-N
SMILES： COC(=O)C=C1CC[C@@H]2[C@]1(COCc1ccccc1)C[C@H](OCc1ccccc1)[C@@H]1[C@@]3(C)CCC(=O)C(Cl)([C@@H]3CC[C@@]21C#N)C(=O)OC
Systematic name  (3)：
  • (13R)-3-オキソ-4-クロロ-8-シアノ-11β,18-ビス(ベンジルオキシ)-17-(2-メトキシ-2-オキソエチリデン)-5α-アンドロスタン-4-カルボン酸メチル
  • メチル (3aS,3bR,5aR,9aR,9bR,10S,11aR)-10-(ベンジルオキシ)-11a-[(ベンジルオキシ)メチル]-6-クロロ-3b-シアノ-1-(2-メトキシ-2-オキソエチリデン)-9a-メチル-7-オキソ-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-6-カルボキシラート
  • methyl (3aS,3bR,5aR,9aR,9bR,10S,11aR)-10-(benzyloxy)-11a-[(benzyloxy)methyl]-6-chloro-3b-cyano-1-(2-methoxy-2-oxoethylidene)-9a-methyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthrene-6-carboxylate
Other name (1)：
  • (13R)-3-Oxo-4-chloro-8-cyano-11β,18-bis(benzyloxy)-17-(2-methoxy-2-oxoethylidene)-5α-androstane-4-carboxylic acid methyl ester
Thsaurus map：
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