(5S,8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-1,2,3,4,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-5,17-diol
Basic information
- CAS
38631-94-6- Standard SMILES
C#CC1(O)CC[C@H]2[C@@H]3C=C[C@@]4(O)CCCC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
DCMJPLBXNMYNOQ-FBYNKPCYSA-N- Molecular formula
- C20H28O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.20893013
Names & identifiers
- Preferred name
- (5S,8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-1,2,3,4,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-5,17-diol
- IUPAC
- (5S,8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-1,2,3,4,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-5,17-diol
Names & synonyms
19-Norpregn-6-en-20-yne-5,17-diolDTXSID50959473(5S,8R,9S,10R,13S,14S)-17-ethynyl-13-methyl-1,2,3,4,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-5,17-diol(17xi)-5alpha-19-Norpregn-6-en-20-yne-5,17-diol
Database identifiers
- CAS
38631-94-6- PubChem CID
- 190980
- DTXSID
DTXSID50959473
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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