Chem
J-GLOBAL ID：200907039201273670   Nikkaji number：J1.692.683C

(1R)-1,4aα-Dimethyl-8β-acetoxy-10-oxo-1,4,4a,4bβ,5,6,7,8,8aα,9,10,10aβ-dodecahydrophenanthrene-1α-carboxylic acid methyl ester

(1R)-1,4aα-ジメチル-8β-アセトキシ-10-オキソ-1,4,4a,4bβ,5,6,7,8,8aα,9,10,10aβ-ドデカヒドロフェナントレン-1α-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： C20H28O5
Molecular formula furigana： C20-H28-O5
Molecular weight： 348.439
InChI： InChI=1S/C20H28O5/c1-12(21)25-16-8-5-7-14-13(16)11-15(22)17-19(14,2)9-6-10-20(17,3)18(23)24-4/h6,10,13-14,16-17H,5,7-9,11H2,1-4H3/t13-,14+,16+,17-,19-,20+/m0/s1
InChI key： SEHXMFRDHSWVGB-VYAAIZFGSA-N
SMILES： COC(=O)[C@]1(C)C=CC[C@@]2(C)[C@@H]3CCC[C@@H](OC(=O)C)[C@H]3CC(=O)[C@H]12
Systematic name  (3)：
  • (1R)-1,4aα-ジメチル-8β-アセトキシ-10-オキソ-1,4,4a,4bβ,5,6,7,8,8aα,9,10,10aβ-ドデカヒドロフェナントレン-1α-カルボン酸メチル
  • メチル (1R,4aS,4bR,8R,8aS,10aS)-8-(アセチルオキシ)-1,4a-ジメチル-10-オキソ-1,4,4a,4b,5,6,7,8,8a,9,10,10a-ドデカヒドロフェナントレン-1-カルボキシラート
  • methyl (1R,4aS,4bR,8R,8aS,10aS)-8-(acetyloxy)-1,4a-dimethyl-10-oxo-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Other name (1)：
  • (1R)-1,4aα-Dimethyl-8β-acetoxy-10-oxo-1,4,4a,4bβ,5,6,7,8,8aα,9,10,10aβ-dodecahydrophenanthrene-1α-carboxylic acid methyl ester
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