Basic information
- CAS
20242-97-1- Standard SMILES
CCCCCCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)/C=C/C(CC)C(C)C)CCC32)C1- InChIKey
MNTJXUZCELWCCS-FMQUCBEESA-N- Molecular formula
- C41H70O2
- Average molar mass
- 595 g/mol
- Monoisotopic mass
- 594.53758147
Names & identifiers
- Preferred name
- [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoate
- IUPAC
- [17-[(E)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] dodecanoate
Names & synonyms
SE 29:2/12:020242-97-1NSC260872NSC-260872
Database identifiers
- CAS
20242-97-1- PubChem CID
- 5971663
Properties
Computed structural properties
- XLogP
- 14.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 930
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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