Basic information
- CAS
1224-94-8- Standard SMILES
C[C@@]12C=CC[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2- InChIKey
QVHPTAJAHUONLV-DYKIIFRCSA-N- Molecular formula
- C19H28O
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.21401552
Names & identifiers
- Preferred name
- Androsta-5,16-dien-3 beta-ol
- IUPAC
- (3S,8S,9S,10R,13R,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- English name
- (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydr o-1H-cyclopenta[a]phenanthren-3-ol
- Molecular formula
- C19H28O
- Molecular weight
- 272.43
Names & synonyms
Andien-beta5,16-androstadien-3 beta-olRefChem:915824androsta-5,16-dien-3 beta-ol1224-94-85,16-Androstadien-3beta-olAndrosta-5,16-dien-3beta-ol(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olAndrosta-5,16-dien-3-ol, (3beta)-5,16-androstadien-3-ol(3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol(3S,8S,9S,10R,13R,14S)-10,13-Dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Show more names
5,16-Androstadien-3B-ol5, 16-ANDROSTADIEN-3β-OLAndrosta-5,16-dien-3β-olAndrosta-5,16-dien-3ol, (3β)-Abiraterone acetate Impurity 18(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydr o-1H-cyclopenta[a]phenanthren-3-ol
Androsta-5,16-dien-3-oldelta5,16-Androstadien-3beta-ol; (3beta)-Androsta-5,16-dien-3-ol; 3beta-Hydroxyandrosta-5,16-diene;Androsta-5,16-dien-3-ol, (3.beta.)-PREGNENOLONE_met004SCHEMBL941737Androsta-5,16-Dien-3|A-Ol5,16-Androstadien-3.beta.-olAndrost-5,16-diene-3.beta.ol
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Collision Cross Section160.09 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 132 · 132 - 137°C
- Boiling point
- 386.4 · 386.4±42.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.73 · 14.73±0.60(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
Uses5,16-Androstadien-3-ol is a useful analyte in the study of stir bar sorptive extraction-thermal desorption-capillary GC-MS applied to biological fluids.
Suppliers13 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
山东君瑞医药科技有限公司0539-5636807 15762008972 · [email protected]
湖北摩科生物科技有限公司18576690171 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
Related reactions
2 records
Compound notes
Loading…