Chem
J-GLOBAL ID:200907067562551651
Nikkaji number:J1.939.756D
17-Oxoandrosta-4-ene-4-ol 4-benzoate
17-オキソアンドロスタ-4-エン-4-オール4-ベンゾアート
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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:
C26 H32 O3
Molecular formula furigana:
C26-H32-O3
Molecular weight:
392.539
InChI:
InChI=1S/C26H32O3/c1-25-15-6-9-22(29-24(28)17-7-4-3-5-8-17)21(25)11-10-18-19-12-13-23(27)26(19,2)16-14-20(18)25/h3-5,7-8,18-20H,6,9-16H2,1-2H3/t18-,19-,20-,25+,26-/m0/s1
InChI key:
SOAKSQSCHWRAQX-NRUSOEPOSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](CCC4=C(CCC[C@]34C)OC(=O)c3ccccc3)[C@@H]1CCC2=O
Systematic name (3):
17-オキソアンドロスタ-4-エン-4-オール4-ベンゾアート
(3aS,3bR,9aR,9bS,11aS)-9a,11a-ジメチル-1-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-6-イル ベンゾアート
(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-6-yl benzoate
Other name (1):
17-Oxoandrosta-4-ene-4-ol 4-benzoate
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