基本情報
- CAS
2026-82-6- 標準SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@H]2O- InChIKey
ZCXLTIZTHGOSFH-GLOHGQAKSA-N- 分子式
- C19H30O3
- 平均分子量
- 306.4 g/mol
- 単同位体質量
- 306.21949481
概要
19-hydroxy-5alpha-dihydrotestosterone is an androstanoid that is 5alpha-dihydrotestosterone carrying an additional hydroxy susbstituent at position 19. It has a role as a human urinary metabolite. It is a 3-oxo-5alpha-steroid, a 17beta-hydroxy steroid, a 19-hydroxy steroid and an androstanoid. It is functionally related to a 17beta-hydroxy-5alpha-androstan-3-one. It derives from a hydride of a 5alpha-androstane.
名称と識別子
- 優先名称
- (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- (5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
名称と別名
2026-82-6(5S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one17beta,19-dihydroxy-5alpha-androstan-3-oneNSC8539919-hydroxydihydrotestosteroneSCHEMBL11580582CHEBI:137031DTXSID801280902NSC-8539919-hydroxy-5alpha-dihydrotestosterone17beta,19-dihydroxy-3-oxo-5alpha-androstanone(5alpha,17beta)-17,19-dihydroxyandrostan-3-one
名称をさらに表示
(5I+/-,17I(2))-17,19-Dihydroxyandrostan-3-one
データベース識別子
- CAS
2026-82-6- PubChem CID
- 257409
- DTXSID
DTXSID801280902- ChEBI
CHEBI:137031
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 57.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 475
関連反応
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