Basic information
- CAS
3589-90-0- Standard SMILES
CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC1CCCCO1- InChIKey
DRRJWMXJIVWKKW-UHFFFAOYSA-N- Molecular formula
- C23H32O3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.23514488
Names & identifiers
- Preferred name
- 13-Methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
- IUPAC
- 13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Names & synonyms
13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol3589-90-0NSC-99694NSC99694
Database identifiers
- CAS
3589-90-0- PubChem CID
- 19174
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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