Chem
J-GLOBAL ID:200907028426633967
Nikkaji number:J1.219.919H
2α-Iodo-17-octyl-5α-androstane-3-one
2α-ヨード-17-オクチル-5α-アンドロスタン-3-オン
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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:
C27 H45 IO
Molecular formula furigana:
C27-H45-I-O
Molecular weight:
512.559
InChI:
InChI=1S/C27H45IO/c1-4-5-6-7-8-9-10-19-12-14-22-21-13-11-20-17-25(29)24(28)18-27(20,3)23(21)15-16-26(19,22)2/h19-24H,4-18H2,1-3H3/t19?,20-,21-,22-,23-,24+,26+,27-/m0/s1
InChI key:
LQUVKRQUCDWZCU-XKVYLUGESA-N
SMILES:
CCCCCCCCC1CC[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):
2α-ヨード-17-オクチル-5α-アンドロスタン-3-オン
(3aS,3bS,5aS,8R,9aS,9bS,11aR)-8-ヨード-9a,11a-ジメチル-1-オクチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-オン
(3aS,3bS,5aS,8R,9aS,9bS,11aR)-8-iodo-9a,11a-dimethyl-1-octyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (1):
2α-Iodo-17-octyl-5α-androstane-3-one
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