基本情報
- CAS
25848-69-5- 標準SMILES
C[C@]12CC[C@H](O)C[C@@H]1C[C@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
VFPMCLQMAUVEHD-UCPSWNCLSA-N- 分子式
- C19H30O3
- 平均分子量
- 306.4 g/mol
- 単同位体質量
- 306.21949481
概要
7beta-hydroxyepiandrosterone is a 3beta-hydroxy steroid that is epiandrosterone carrying a hydroxy group at the 7beta position. It is an endogenous androgen metabolite that has been shown to exert neuroprotective effects. It has a role as an androgen, an estrogen receptor antagonist, a neuroprotective agent and a human metabolite. It is a 17-oxo steroid, a 7beta-hydroxy steroid, a 3beta-hydroxy steroid and an androstanoid. It is functionally related to an epiandrosterone.
名称と識別子
- 優先名称
- 7-beta-Hydroxyepiandrosterone
- IUPAC
- (3S,5R,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
- 英語名
- Androstan-?17-?one, 3,?7-?dihydroxy-?, (3β,?5α,?7β)?-
- 分子式
- C19H30O3
- 分子量
- 306.4397
名称と別名
7beta-OH-Epia7-beta-Hydroxyepiandrosterone7beta-hydroxyepiandrosteroneOCP3E5KD08hf0220(3beta,5alpha,7beta)-3,7-Dihydroxyandrostan-17-oneCHEBI:183809(3S,5R,7S,8R,9S,10S,13S,14S)-3,7-Dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta(a)phenanthren-17-one7-.BETA.-HYDROXYEPIANDROSTERONE7.BETA.-HYDROXY-EPI-ANDROSTERONEAndrostan-17-one, 3,7-dihydroxy-, (3beta,5alpha,7beta)-(3.BETA.,5.ALPHA.,7.BETA.)-3,7-DIHYDROXYANDROSTAN-17-ONE
名称をさらに表示
Hydrocortisone Impurity 115Androstan-17-one, 3,7-dihydroxy-, (3β,5α,7β)-(3S,5R,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-one
ANDROSTAN-17-ONE, 3,7-DIHYDROXY-, (3.BETA.,5.ALPHA.,7.BETA.)-(3aS,3bR,4S,5aR,7S,9aS,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-one(3aS,3bR,4S,5aR,7S,9aS,9bS,11aS)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta(a)phenanthren-1-one(3S,5R,7S,8R,9S,10S,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one7BETA-HYDROXY-EPI-ANDROSTERONERefChem:54552425848-69-5HF-0220
物性
構造計算による物性
- XLogP
- 2.3
- 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
- 0
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 489
物理化学的性質
- 融点
- 241 °C · 241 °C(Solv: ethyl acetate (141-78-6))
- 沸点
- 454.7 · 454.7±45.0 °C(Predicted)
- 比重(密度)
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 14.75 · 14.75±0.70(Predicted)
化学と産業
サプライヤー4 社
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
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化合物ノート
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