Basic information
- CAS
4057-03-8- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1(C)C- InChIKey
PTDBQIJPNPGLEF-UHFFFAOYSA-N- Molecular formula
- C31H52O2
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.3967309
Names & identifiers
- Preferred name
- 4,4-Dimethylcholest-5-en-3-yl acetate
- IUPAC
- [4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Names & synonyms
4057-03-84,4-dimethylcholest-5-en-3-yl acetateNSC132036SCHEMBL19197306DTXSID00960973AKOS024434765NSC-1320364,4-DIMETHYL-5-CHOLESTEN-3-OL ACETATE
Database identifiers
- CAS
4057-03-8- PubChem CID
- 280428
- DTXSID
DTXSID00960973
Properties
Computed structural properties
- XLogP
- 10
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 763
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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