Cholestane-3,5,6,15,16,26-hexol, (3beta,5alpha,6beta,15alpha,16beta)-
Basic information
- CAS
93368-83-3- Standard SMILES
CC(CO)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
CLNZRUHMYVMUAU-COACWXPYSA-N- Molecular formula
- C27H48O6
- Average molar mass
- 468.7 g/mol
- Monoisotopic mass
- 468.34508925
Names & identifiers
- Preferred name
- Cholestane-3,5,6,15,16,26-hexol, (3beta,5alpha,6beta,15alpha,16beta)-
- IUPAC
- (3S,5R,6R,8R,9S,10R,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6,15,16-pentol
- English name
- 5α-Cholestane-3β,5,6β,15α,16β,26-hexaol
- Molecular formula
- C27H48O6
- Molecular weight
- 468.67
Names & synonyms
93368-83-3Cholestane-3,5,6,15,16,26-hexolCholestane-3,5,6,15,16,26-hexol, (3beta,5alpha,6beta,15alpha,16beta)-DTXSID50918484LMST010106325alpha-Cholestane-3beta,5,6beta,15alpha,16beta,26-hexolCholestane-3beta,5alpha,6beta,7alpha,15alpha,16beta,26-hexol5α-Cholestane-3β,5,6β,15α,16β,26-hexaolCholestane-3,5,6,15,16,26-hexol, (3β,5α,6β,15α,16β)- (9CI)
Database identifiers
- CAS
93368-83-3- PubChem CID
- 185255
- DTXSID
DTXSID50918484- Nikkaji
- J146.656I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 702
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Cholesterol and derivatives [ST0101]
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Compound notes
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