Basic information
- Standard SMILES
CC(C)CCCC(C)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CCC12C- InChIKey
IOIZWEJGGCZDOL-UHFFFAOYSA-N- Molecular formula
- C27H44O2
- Average molar mass
- 400.6 g/mol
- Monoisotopic mass
- 400.33413064
Names & identifiers
- Preferred name
- 4-Cholesten-7|A-ol-3-one
- IUPAC
- 7-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
4-Cholesten-7|A-ol-3-one4-CHOLESTEN-7-BETA-OL-3-ONEPD0806004-CHOLESTEN-7-BETA-OL-3-ONE;7-BETA-HYDROXYCHOLESTENONE
Database identifiers
- PubChem CID
- 334
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 663
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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