5α-Androst-16-en-3α-ol

Androstenol

HCID 101989CAS 1153-51-1
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Grundinformationen

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

Datenbank-Bezeichner

CAS
1153-51-1、12041-97-3、7148-51-8
PubChem CID
101989
DTXSID
DTXSID2075394
ChEMBL
CHEMBL142348
ChEBI
CHEBI:40933
UNII
48K9VAM062
EC Number
214-573-1、234-925-8
Nikkaji
J109.628A

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

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

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.

Anbieter47 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都翔才医药科技有限公司13683497877
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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