Cholestane-3,6,20-triol, (3beta,5alpha,6alpha,20R)-
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Basic information
- CAS
56362-86-8- Standard SMILES
CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
ZOMKSZCIFXYBAD-LRHBWNCWSA-N- Molecular formula
- C27H48O3
- Average molar mass
- 420.7 g/mol
Names & identifiers
- Preferred name
- Cholestane-3,6,20-triol, (3beta,5alpha,6alpha,20R)-
- IUPAC
- (3S,5S,6S,8R,9S,10R,13S,14S,17S)-17-[(2R)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
- English name
- (20R)-5α-Cholestane-3β,6α,20-triol
- Molecular formula
- C27H48O3
- Molecular weight
- 420.67
Names & synonyms
CHEMBL2086783Cholestane-3,6,20-triol #SCHEMBL16225954ZOMKSZCIFXYBAD-LRHBWNCWSA-NCholestane-3,6,20-triol, (3.beta.,5.alpha.,6.alpha.,20R)-BDBM50421178(20R)-5α-Cholestane-3β,6α,20-triolCholestane-3,6,20-triol, (3β,5α,6α,20R)-
Database identifiers
- CAS
56362-86-8- ChEMBL
CHEMBL2086783- Nikkaji
- J143.775E
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
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Compound notes
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