24xi-Methyl-5alpha-cholestane-3beta,6alpha,8,15alpha,16beta,26-hexol
Basic information
- CAS
93368-89-9- Standard SMILES
CC(CO)C(C)CC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@]12O- InChIKey
MFAGYYNGXJIORY-QJROANQCSA-N- Molecular formula
- C28H50O6
- Average molar mass
- 482.7 g/mol
- Monoisotopic mass
- 482.36073931
Names & identifiers
- Preferred name
- 24xi-Methyl-5alpha-cholestane-3beta,6alpha,8,15alpha,16beta,26-hexol
- IUPAC
- (3S,5S,6S,8S,9R,10S,13R,14S,15R,16R,17R)-17-[(2R)-7-hydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
Names & synonyms
93368-89-924xi-Methyl-5alpha-cholestane-3beta,6alpha,8,15alpha,16beta,26-hexolDTXSID10918480MFAGYYNGXJIORY-QJROANQCSA-N24-.Xi.-methyl-5.alpha.-cholestane-3.beta.,6.alpha.,8,15.alpha.,16.beta.,26-hexolErgostane-3,6,8,15,16,26-hexol #(24xi)-5alpha-Ergostane-3beta,6alpha,8,15alpha,16beta,26-hexolErgostane-3,6,8,15,16,26-hexol, (3I(2),5I+/-,6I+/-,15I+/-,16I(2),24I(3/4))-
Database identifiers
- CAS
93368-89-9- PubChem CID
- 185259
- DTXSID
DTXSID10918480
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 732
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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