Basic information
- CAS
10002-97-8- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@H]43)[C@@H]1CC[C@@H]2O- InChIKey
QNKATSBSLLYTMH-QPZWGXJQSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Overview
5beta-Estrane-3alpha,17beta-diol is a 3-hydroxy steroid.
Names & identifiers
- Preferred name
- Estrane-3,17-diol, (3alpha,5beta,17beta)-
- IUPAC
- (3R,5R,8R,9R,10S,13S,14S,17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol
- English name
- 5β-Estran-3α,17β-diol
- Molecular formula
- C18H30O2
- Molecular weight
- 278.43
Names & synonyms
5beta-Estrane-3alpha,17beta-diol10002-97-8UNII-X4SO0472HBX4SO0472HBEstrane-3,17-diol, (3alpha,5beta,17beta)-NSC 81400NSC-814005beta-Estran-3alpha,17beta-diolDTXSID501428685.BETA.-ESTRAN-3.ALPHA.,17.BETA.-DIOL5.BETA.-ESTRANE-3.ALPHA.,17.BETA.-DIOLESTRANE-3,17-DIOL, (3.ALPHA.,5.BETA.,17.BETA.)-
Show more names
5β-Estran-3α,17β-diolEstrane-3,17-diol, (3a,5b,17b)-
RefChem:137934DTXCID0065359(3R,5R,8R,9R,10S,13S,14S,17S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol5?-Estran-3?,17?-diolSCHEMBL6451833CHEBI:79716NSC81400(3alpha,5beta,17beta)-estrane-3,17-diol
Database identifiers
- CAS
10002-97-8- PubChem CID
- 255697
- DTXSID
DTXSID50142868- ChEBI
CHEBI:79716- UNII
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- FDA UNII
- 4 SO0472HB · X4SO0472HB
Chemistry & industry
Applications
Uses5β-Estran-3α,17β-diol is an metabolite of Nandrolone (N315000), an anabolic steroid.
Suppliers1 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Additional notes
DefinitionChEBI: 5beta-Estrane-3alpha,17beta-diol is a 3-hydroxy steroid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…