Chem
J-GLOBAL ID：200907026664469110
Nikkaji number：J1.219.908B
Acetic acid 2α-iodo-3-oxo-5α-androstane-17-yl ester
酢酸2α-ヨード-3-オキソ-5α-アンドロスタン-17-イル
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： C21H31IO3
Molecular formula furigana： C21-H31-I-O3
Molecular weight： 458.380
InChI：
InChI=1S/C21H31IO3/c1-12(23)25-19-7-6-15-14-5-4-13-10-18(24)17(22)11-21(13,3)16(14)8-9-20(15,19)2/h13-17,19H,4-11H2,1-3H3/t13-,14-,15-,16-,17+,19?,20-,21-/m0/s1
InChI key：
BHRDNJNFNBSTAJ-ABBIABQISA-N
SMILES：
CC(=O)OC1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](I)C[C@]4(C)[C@H]3CC[C@]12C
Systematic name (3)：
- 酢酸2α-ヨード-3-オキソ-5α-アンドロスタン-17-イル
- (3aS,3bR,5aS,8R,9aS,9bS,11aS)-8-ヨード-9a,11a-ジメチル-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-1-イル アセタート
- (3aS,3bR,5aS,8R,9aS,9bS,11aS)-8-iodo-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl acetate
- Acetic acid 2α-iodo-3-oxo-5α-androstane-17-yl ester
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