Cholestane-3,5,6,8,15-pentol, 24-((2-O-(2-O-methyl-beta-D-xylopyranosyl)-alpha-L-arabinofuranosyl)oxy)-, (3beta,5alpha,6beta,15alpha)-
Basic information
- CAS
83210-62-2- Standard SMILES
CO[C@H]1[C@H](O[C@H]2[C@H](OC(CC[C@@H](C)[C@@H]3C[C@H](O)[C@H]4C5(O)C[C@@H](O)[C@@]6(O)C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)C(C)C)O[C@@H](CO)[C@@H]2O)OC[C@@H](O)[C@@H]1O- InChIKey
YMIVFHWYEOFHLR-AHJJEIIZSA-N- Molecular formula
- C38H66O14
- Average molar mass
- 746.9 g/mol
- Monoisotopic mass
- 746.44525677
Names & identifiers
- Preferred name
- Cholestane-3,5,6,8,15-pentol, 24-((2-O-(2-O-methyl-beta-D-xylopyranosyl)-alpha-L-arabinofuranosyl)oxy)-, (3beta,5alpha,6beta,15alpha)-
- IUPAC
- (3S,5R,6R,9R,10R,13R,14S,15S,17S)-17-[(2R)-5-[(2R,3R,4S,5S)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5,6,8,15-pentol
Names & synonyms
83210-62-2Cholestane-3,5,6,8,15-pentol, 24-((2-O-(2-O-methyl-beta-D-xylopyranosyl)-alpha-L-arabinofuranosyl)oxy)-, (3beta,5alpha,6beta,15alpha)-SCHEMBL29544661DTXSID4010032033,5,6,8,15-Pentahydroxycholestan-24-yl 2-O-(2-O-methylpentopyranosyl)pentofuranoside(8xi)-3beta,5,6beta,8,15alpha-Pentahydroxy-5alpha,17alpha-cholestan-24-yl 2-O-(2-O-methyl-beta-D-xylopyranosyl)-alpha-L-arabinofuranoside
Database identifiers
- CAS
83210-62-2- PubChem CID
- 157889
- DTXSID
DTXSID401003203
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,230
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Compound notes
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