Basic information
- CAS
118354-50-0- Standard SMILES
COc1ccc2c(c1)[C@H]1CCCC[C@@H]1[C@@H]1O[C@H]21- InChIKey
SEEWCDWTXYKWKT-LWWSYDQCSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Names & identifiers
- Preferred name
- (1aS,1bS,5aS,9bR)-7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
- IUPAC
- (1aS,1bS,5aS,9bR)-7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
Names & synonyms
118354-50-0(4abeta,9alpha,10alpha)-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthreneCCRIS 7430(1aS,1bS,5aS,9bR)-7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene(4abeta,9alpha,10alpha)-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenenthrene(4abeta,9alpha,10alpha)-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a -octahydrophenanthrene
Database identifiers
- CAS
118354-50-0- PubChem CID
- 147245
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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