3,3-Dimethoxy-19-nor-17-alpha-pregn-5(10)-en-20-yn-17-beta-ol
Basic information
- CAS
19669-65-9- Standard SMILES
C#CC1(O)CCC2C3CCC4=C(CCC(OC)(OC)C4)C3CCC21C- InChIKey
MSUVOSKVTATSHE-UHFFFAOYSA-N- Molecular formula
- C22H32O3
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.23514488
Names & identifiers
- Preferred name
- 3,3-Dimethoxy-19-nor-17-alpha-pregn-5(10)-en-20-yn-17-beta-ol
- IUPAC
- 17-ethynyl-3,3-dimethoxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
- English name
- 3,3-dimethoxy-19-nor-17-alpha-pregn-5(10)-en-20-yn-17-beta-ol
- Molecular formula
- C22H32O3
- Molecular weight
- 344.49
Names & synonyms
19669-65-93,3-Dimethoxy-19-nor-17-alpha-pregn-5(10)-en-20-yn-17-beta-ol17-ethynyl-3,3-dimethoxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-olEINECS 243-217-8DTXSID30941432NS000468333,3-Dimethoxy-19-norpregn-5(10)-en-20-yn-17-ol3,3-dimethoxy-19-nor-17--pregn-5(10)-en-20-yn-17--ol(17R)-3,3-Dimethoxy-19-norpregn-5(10)-en-20-yn-17-ol3,3-dimethoxy-19-nor-17-α-pregn-5(10)-en-20-yn-17-β-ol19-Norpregn-5(10)-en-20-yn-17-ol, 3,3-dimethoxy-, (17α)- (9CI)
Database identifiers
- CAS
19669-65-9- PubChem CID
- 89195
- DTXSID
DTXSID30941432- EC Number
- 243-217-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 637
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 170 · 170-174 °C
- Boiling point
- 439.3 · 439.3±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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