Basic information
- CAS
54668-67-6- Standard SMILES
C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
YRMMDRYFJOUBOL-OLSVQSNTSA-N- Molecular formula
- C24H40O2
- Average molar mass
- 360.6 g/mol
- Monoisotopic mass
- 360.30283051
Names & identifiers
- Preferred name
- (3beta)-Chol-5-ene-3,24-diol
- IUPAC
- (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Names & synonyms
CHEMBL241915854668-67-6CHOL-5-ENE-3-BETA,24-DIOL(3beta)-Chol-5-ene-3,24-diol5-cholene-3beta,24-diolChol-5-ene-3beta,24-diolSCHEMBL17467018DTXSID50969951BDBM50528618AT35336
Database identifiers
- CAS
54668-67-6- PubChem CID
- 150271
- DTXSID
DTXSID50969951- ChEMBL
CHEMBL2419158- EC Number
- 149-100-7
- Nikkaji
- J89.887B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…