2alpha-Methyl-19-nortestosterone
基本情報
- CAS
1092-04-2- 標準SMILES
C[C@@H]1C[C@H]2C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
KJERLNHLVKUCEM-VMBOHXENSA-N- 分子式
- C19H28O2
- 平均分子量
- 288.4 g/mol
- 単同位体質量
- 288.20893013
概要
17beta-hydroxy-2alpha-methylestr-4-en-3-one is a 3-oxo 4-steroid that is estr-4-ene substituted by a beta-hydroxy group at position 17 and an alpha-methyl group at position 2. It is a 17beta-hydroxy steroid and a 3-oxo-Delta(4) steroid. It derives from a hydride of an estrane.
名称と識別子
- 優先名称
- 2alpha-Methyl-19-nortestosterone
- IUPAC
- (2R,8R,9S,10R,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- 英語名
- Estr-4-en-3-one, 17.beta.-hydroxy-2.alpha.-methyl-
- 分子式
- C19H28O2
- 分子量
- 0
名称と別名
2alpha-Methyl-19-nortestosterone1092-04-2Estr-4-en-3-one, 17.beta.-hydroxy-2.alpha.-methyl-UNII-N6WOZ37NLUN6WOZ37NLU17beta-Hydroxy-2alpha-methylestr-4-en-3-one2.alpha.-Methyl-19-nortestosteroneNSC 29840NSC-29840RU 3110CHEBI:79760RU-3110
名称をさらに表示
Estr-4-en-3-one, 17-hydroxy-2-methyl-, (2.alpha.,17.beta.)-RefChem:90043ESTR-4-EN-3-ONE, 17BETA-HYDROXY-2ALPHA-METHYL-ESTR-4-EN-3-ONE, 17-HYDROXY-2-METHYL-, (2ALPHA,17BETA)-(2R,8R,9S,10R,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-oneSCHEMBL16188696DTXSID00911026NSC29840
データベース識別子
- CAS
1092-04-2- PubChem CID
- 232426
- DTXSID
DTXSID00911026- ChEBI
CHEBI:79760- UNII
- N6WOZ37NLU
- Nikkaji
- J2.792.182E
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 494
化学と産業
補足説明
定義ChEBI: A 3-oxo Delta4-steroid that is estr-4-ene substituted by a beta-hydroxy group at position 17 and an alpha-methyl group at position 2.
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