Basic information
- CAS
66964-26-9- Standard SMILES
C=CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
DVZBAYMQAXVRQF-CTCCYDHESA-N- Molecular formula
- C22H32O3
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.23514488
Names & identifiers
- Preferred name
- 5-beta,14-beta-Androstan-3-one, 17-beta-hydroxy-, acrylate
- IUPAC
- [(5R,8R,9S,10S,13S,14R,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] prop-2-enoate
Names & synonyms
5-beta,14-beta-ANDROSTAN-3-ONE, 17-beta-HYDROXY-, ACRYLATE66964-26-9RefChem:107267317-beta-Hydroxy-5-beta,14-beta-androstan-3-one acrylateBRN 2476680DTXSID909856953-Oxoandrostan-17-yl prop-2-enoate3-Oxo-5beta,14beta-androstan-17beta-yl prop-2-enoate
Database identifiers
- CAS
66964-26-9- PubChem CID
- 48619
- DTXSID
DTXSID90985695
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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