19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-
Basic information
- CAS
101409-95-4- Standard SMILES
C#CC1(O)CC[C@H]2[C@@H]3CC[C@]4(O)CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
VZJYEIIXZOGNBJ-FBYNKPCYSA-N- Molecular formula
- C20H28O3
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.20384475
Names & identifiers
- Preferred name
- 19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-
- IUPAC
- (5S,8R,9S,10R,13S,14S)-17-ethynyl-5,17-dihydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
19-Norpregn-20-yn-3-one, 5,17-dihydroxy-, (5beta,17alpha)-101409-95-4
Database identifiers
- CAS
101409-95-4- PubChem CID
- 180976
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 589
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