Basic information
- CAS
3328-25-4- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(OO)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
CUIXDAUTEMBARD-JYHISOCBSA-N- Molecular formula
- C27H46O3
- Average molar mass
- 418.7 g/mol
- Monoisotopic mass
- 418.34469533
Names & identifiers
- Preferred name
- 3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxide
- IUPAC
- (3S,8S,9S,10R,13R,14S,17R)-5-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Names & synonyms
3328-25-4Cholest-6-en-3-beta-ol, 5-alpha-hydroperoxide3beta-Hydroxy-5alpha-cholest-6-ene-5-hydroperoxideCCRIS 2345Cholesterol-5-alpha-hydroperoxide3-beta-Hydroxy-5-alpha-cholest-6-ene-5-hydroperoxideSCHEMBL30655212DTXSID40275896CUIXDAUTEMBARD-JYHISOCBSA-Ndelta(sup 6)-Cholesten-3-beta-ol-5-alpha-hydroperoxyd [German]5-Hydroperoxycholest-6-en-3beta-oldelta(sup 6)-Cholesten-3-beta-ol-5-alpha-hydroperoxyd
Show more names
Hydroperoxide, 3-beta-hydroxy-5-alpha-cholest-6-en-5-yl
Database identifiers
- CAS
3328-25-4- PubChem CID
- 92192
- DTXSID
DTXSID40275896
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 644
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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