5α-Androst-16-en-3α-ol
Androstenol
Grundinformationen
- CAS
1153-51-1- Standard-SMILES
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12- InChIKey
KRVXMNNRSSQZJP-PHFHYRSDSA-N- Summenformel
- C19H30O
- Durchschnittliche Molmasse
- 274,4 g/mol
- Monoisotopische Masse
- 274,22966558
Überblick
5alpha-androst-16-en-3alpha-ol is a 3alpha-sterol. It has a role as a pheromone. It derives from a hydride of a 5alpha-androst-16-ene.
Namen und Bezeichner
- Bevorzugter Name
- Androstenol
- IUPAC
- (3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- Lokaler Name
- 5α-Androst-16-en-3α-ol
- Englischer Name
- 5alpha-Androst-16-en-3alpha-ol
- Summenformel
- C19H30O
- Molmasse
- 274.44
Namen und Synonyme
Androstenol1153-51-15alpha-Androst-16-en-3alpha-ol16,17-ANDROSTENE-3-OL(3alpha,5alpha)-Androst-16-en-3-ol5.alpha.-Androst-16-en-3.alpha.-olAndrost-16-en-3-ol, (3.alpha.,5.alpha.)-(3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-olAndrost-16-en-3-ol, (3alpha,5alpha)-EINECS 214-573-1NSC 71076NSC-71076
Weitere Namen anzeigen
5α-Androst-16-en-3α-olOCCLESTEROLOxtersterol5α-Androstenolandrost-16-en-3-olAndrostenol (3-alpha)5a-androst-16-en-3a-ol16-(5α)androsten-3α-ol5a-Androsten-16-en-3a-ol
3alpha-Hydroxy-5alpha-androst-16-eneDTXSID2075394CHEBI:409333.ALPHA.-HYDROXY-5.ALPHA.-ANDROST-16-ENE(3.ALPHA.,5.ALPHA.)-ANDROST-16-EN-3-OL [MI](3R,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:558050DTXCID7033365
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 427
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point142.75 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 140 · 140-141 °C(lit.)
- Siedepunkt
- 374.1 · 374.1±42.0 °C(Predicted)
- Dichte
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 20 mg/ml,DMSO: · DMF: 20 mg/ml,DMSO: 10 mg/ml,Ethanol: 30 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 14.84 · 14.84±0.60(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationIMAP assessments - Androst-16-en-3-ol, (3.alpha.,5.alpha.)-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
General Manufacturing InformationAndrost-16-en-3-ol, (3.alpha.,5.alpha.)-: INACTIVE
Anwendungen
Verwenden5ALPHA-ANDROST-16-EN-3ALPHA-OL is an alcohol derivative and can be used as a pharmaceutical intermediate.
Zugehörige Reaktionen
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