Chem
J-GLOBAL ID:200907097179629090
Nikkaji number:J128.953E
Betaxalone
ベタキサロン
Download MOL file
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:
C21 H32 O3
Molecular formula furigana:
C21-H32-O3
Molecular weight:
332.484
InChI:
InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15-,16+,17-,19+,20-,21+/m0/s1
InChI key:
DUHUCHOQIDJXAT-YUUPMBNKSA-N
SMILES:
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
Systematic name (3):
3β-ヒドロキシ-5α-プレグナン-11,20-ジオン
(1S,3aS,3bS,5aS,7S,9aS,9bS,11aS)-1-アセチル-7-ヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-10-オン
(1S,3aS,3bS,5aS,7S,9aS,9bS,11aS)-1-acetyl-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-10-one
Other name (3):
3β-Hydroxy-5α-pregnane-11,20-dione
ベタキサロン
Betaxalone
CAS registry number:
600-59-9
Regulation number (1):
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