Basic information
- CAS
5259-20-1- Standard SMILES
CC(=O)OC1CCC2(C)C(CC=C3C2CCC2(C)C(C(C)CCCC(C)C)CCC32C)C1- InChIKey
NSCDXTUACLUGIN-UHFFFAOYSA-N- Molecular formula
- C30H50O2
- Average molar mass
- 442.7 g/mol
- Monoisotopic mass
- 442.38108083
Names & identifiers
- Preferred name
- 14-Methylcholest-7-en-3-yl acetate
- IUPAC
- [10,13,14-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
5259-20-114-methylcholest-7-en-3-yl acetateNSC102012DTXSID10967019NSC-102012
Database identifiers
- CAS
5259-20-1- PubChem CID
- 265686
- DTXSID
DTXSID10967019
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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