Basic information
- CAS
121625-60-3- Standard SMILES
C[C@]12O[C@H]1[C@H]1CCCC[C@@H]1c1ccccc12- InChIKey
OUJHLCLNYZHJJN-UEEZHKSASA-N- Molecular formula
- C15H18O
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.13576519
Names & identifiers
- Preferred name
- (4abeta,9alpha,10alpha)-9-Methyl-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
- IUPAC
- (1aS,1bS,5aS,9bR)-9b-methyl-1b,2,3,4,5,5a-hexahydro-1aH-phenanthro[9,10-b]oxirene
Names & synonyms
(4abeta,9alpha,10alpha)-9-Methyl-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene121625-60-3CCRIS 7425DTXSID80153321(1aS,1bS,5aS,9bR)-9b-Methyl-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene(4ABETA,9ALPHA,10ALPHA)-9-METHYL-9,10-EPOXY-TRANS-1,2,3,4,4A,9,10,10A-OCTAHYDROPH ENANTHRENE
Database identifiers
- CAS
121625-60-3- PubChem CID
- 147685
- DTXSID
DTXSID80153321
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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