Basic information
- CAS
6174-76-1- Standard SMILES
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/O)C[C@@H]12- InChIKey
LIURKLQQPKKGSQ-GWNAAENASA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Names & identifiers
- Preferred name
- (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylidene)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
- IUPAC
- (3S,5S,8R,9S,10S,13S,14S,16E)-3-hydroxy-16-(hydroxymethylidene)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
Names & synonyms
NSC508906174-76-1DTXSID40418069NSC-50890(16E)-3beta-Hydroxy-16-(hydroxymethylidene)-5alpha-androstan-17-one
Database identifiers
- CAS
6174-76-1- PubChem CID
- 5356100
- DTXSID
DTXSID40418069
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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