Chem
J-GLOBAL ID：200907073575529787
Nikkaji number：J6.315K
Allopregnanolone
アロプレグナノロン
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： C21H34O2
Molecular formula furigana： C21-H34-O2
Molecular weight： 318.501
InChI：
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
InChI key：
AURFZBICLPNKBZ-SYBPFIFISA-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]3CC[C@]12C
Systematic name (7)：
- 20-オキソ-5α-プレグナン-3α-オール
- 3α-ヒドロキシ-5α-プレグナ-20-オン
- 3α-ヒドロキシ-5α-プレグナン-20-オン
- (17S)-3α-ヒドロキシ-5α-プレグナン-20-オン
- 17β-アセチル-5α-アンドロスタン-3α-オール
Show all
- アロプレグナン-3α-オール-20-オン
- エピアロプレグナン-3-オール-20-オン
- Allopregnane-3α-ol-20-one
- Epiallopregnan-3-ol-20-one
- allo-プレグナン-3α-オール-20-オン
Show all
Regulation number (1)：
- TU4383000
KEGG COMPOUND：
C13712
Application (3)：
psychotropic drug
, neurohormone
, anesthetic
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