Basic information
- CAS
60069-78-5- Standard SMILES
CC(OC1CCCCO1)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C- InChIKey
IOBZAMAGLIOWSA-UHFFFAOYSA-N- Molecular formula
- C26H40O3
- Average molar mass
- 400.6 g/mol
- Monoisotopic mass
- 400.29774513
Names & identifiers
- Preferred name
- 20-[(Oxan-2-yl)oxy]pregn-4-en-3-one
- IUPAC
- 10,13-dimethyl-17-[1-(oxan-2-yloxy)ethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
60069-78-5NSC10111220-[(Oxan-2-yl)oxy]pregn-4-en-3-oneDTXSID30975494NSC-101112
Database identifiers
- CAS
60069-78-5- PubChem CID
- 265256
- DTXSID
DTXSID30975494
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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