7-beta-Hydroxyepiandrosterone
Grundinformationen
- CAS
25848-69-5- Standard-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- Summenformel
- C19H30O3
- Durchschnittliche Molmasse
- 306,4 g/mol
- Monoisotopische Masse
- 306,21949481
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- 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
- Englischer Name
- Androstan-?17-?one, 3,?7-?dihydroxy-?, (3β,?5α,?7β)?-
- Summenformel
- C19H30O3
- Molmasse
- 306.4397
Namen und Synonyme
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
Weitere Namen anzeigen
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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 489
Physikochemische Eigenschaften
- Schmelzpunkt
- 241 °C · 241 °C(Solv: ethyl acetate (141-78-6))
- Siedepunkt
- 454.7 · 454.7±45.0 °C(Predicted)
- Dichte
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- pka
- 14.75 · 14.75±0.70(Predicted)
Chemie und Industrie
Anbieter4 Anbieter
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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