Basic information
- CAS
1038-22-8- Standard SMILES
C#C[C@@]1(O)CC2CCC3C4CCC(=O)C4(C)CCC3C2(C)C1- InChIKey
MNEYCBHWSMBXJI-GMYVCPBPSA-N- Molecular formula
- C20H28O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.20893013
Names & identifiers
- Preferred name
- 2-Ethynyl-2-hydroxy-A-norandrostan-17-one
- IUPAC
- (2R)-2-ethynyl-2-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-one
Names & synonyms
2-Ethynyl-2-hydroxy-A-norandrostan-17-oneA-NOR-5-alpha-ANDROSTAN-17-beta-ONE, 2-alpha-ETHYNYL-2-beta-HYDROXY-1038-22-82-alpha-Ethynyl-2-beta-hydroxy-A-nor-5-alpha-androstan-17-beta-oneDTXSID509086037-Ethynyl-7-hydroxy-8a,10a-dimethyltetradecahydrodicyclopenta[a,f]naphthalen-1(2H)-one(7R)-7-ethynyl-7-hydroxy-8a,10a-dimethyltetradecahydrodicyclopenta[a,f]naphthalen-1(2H)-one
Database identifiers
- CAS
1038-22-8- PubChem CID
- 13952
- DTXSID
DTXSID50908603
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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