Basic information
- CAS
1038-19-3- Standard SMILES
C#C[C@@]1(O)CC2CCC3C(CCC4(C)C3CC[C@@H]4O)C2(C)C1- InChIKey
KSJJQCZCDJYYDJ-RZOQUZGISA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Names & identifiers
- Preferred name
- A-NOR-5-alpha-ANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-
- IUPAC
- (2R,6S)-2-ethynyl-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]indene-2,6-diol
Names & synonyms
A-NOR-5-alpha-ANDROSTANE-2-beta,17-beta-DIOL, 2-alpha-ETHYNYL-1038-19-32-beta,17-beta-Dihydroxy-2-alpha-ethinyl-A-nor(5-alpha)androstaneDTXSID909086027-Ethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol(1S,7R)-7-ethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol
Database identifiers
- CAS
1038-19-3- PubChem CID
- 13951
- DTXSID
DTXSID90908602
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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