Basic information
- CAS
13820-04-7- Standard SMILES
CC1(C)C(=O)C(O)=C[C@@]2(C)C1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12- InChIKey
TVVXJWYQUXUOQR-NJMRJFFHSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949481
Names & identifiers
- Preferred name
- 2,17-Dihydroxy-4,4-dimethylandrosta-1,5-dien-3-one
- IUPAC
- (8R,9S,10S,13S,14S,17S)-2,17-dihydroxy-4,4,10,13-tetramethyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-3-one
Names & synonyms
13820-04-7NSC677842,17-Dihydroxy-4,4-dimethylandrosta-1,5-dien-3-oneDTXSID70930007NSC-677842,17beta-Dihydroxy-4,4-dimethylandrosta-1,5-dien-3-one
Database identifiers
- CAS
13820-04-7- PubChem CID
- 249447
- DTXSID
DTXSID70930007
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 658
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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