Basic information
- CAS
23257-27-4- Standard SMILES
C=C(C)CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C- InChIKey
CKWGCYIEXSUBCE-UHFFFAOYSA-N- Molecular formula
- C22H32O2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.24023026
Names & identifiers
- Preferred name
- 17-Hydroxy-13-methyl-17-(2-methylprop-2-enyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- 17-hydroxy-13-methyl-17-(2-methylprop-2-enyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
17-hydroxy-13-methyl-17-(2-methylprop-2-enyl)-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-oneDTXSID902745911-Hydroxy-11a-methyl-1-(2-methylprop-2-en-1-yl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one
Database identifiers
- CAS
23257-27-4- PubChem CID
- 17316
- DTXSID
DTXSID90274591
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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