3-Hydroxyandrostane-7,17-dione
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Basic information
- CAS
39201-24-6- Standard SMILES
C[C@]12CC[C@@H](O)C[C@H]1CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12- InChIKey
ONVVZSHYQMOXLN-HAYXEUKTSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Overview
RN given refers to (3alpha,5beta)-isomer; structure in first source
Names & identifiers
- Preferred name
- 3-Hydroxyandrostane-7,17-dione
- IUPAC
- (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
- English name
- 3-hydroxyandrostane-7,17-dione
- Molecular weight
- 0
Names & synonyms
3-Hydroxyandrostane-7,17-dione39201-24-6DTXSID40959982RefChem:94250DTXCID301387852androstane-7,17-dione, 3-hydroxy-, (3 alpha,5 beta)-3alpha-Hydroxy-5beta-androstane-7,17-dioneAndrostane-7,17-dione, 3-hydroxy-, (3alpha,5beta)-
Database identifiers
- CAS
39201-24-6- PubChem CID
- 193786
- DTXSID
DTXSID40959982
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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