12,15-Dihydroxypregn-4-ene-3,20-dione
Basic information
- CAS
6947-43-9- Standard SMILES
CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C- InChIKey
LCDAMWASKLSANR-XHGSXZHTSA-N- Molecular formula
- C21H30O4
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.21440943
Names & identifiers
- Preferred name
- 12,15-Dihydroxypregn-4-ene-3,20-dione
- IUPAC
- (8R,9S,10R,12S,13S,14S,15S,17S)-17-acetyl-12,15-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
6947-43-9NSC56952DTXSID80989400NSC-5695212,15-Dihydroxypregn-4-ene-3,20-dione12alpha,15alpha-Dihydroxypregn-4-ene-3,20-dione
Database identifiers
- CAS
6947-43-9- PubChem CID
- 245233
- DTXSID
DTXSID80989400
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 652
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Compound notes
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