Cas no 102046-49-1 (Cholestane-3,4,6,8,15-pentol,24-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,24S)-)

Cholestane-3,4,6,8,15-pentol,24-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,24S)- structure
102046-49-1 structure
Product Name:Cholestane-3,4,6,8,15-pentol,24-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,24S)-
CAS No:102046-49-1
MF:C39H68O14
MW:760.94883441925
CID:152709
PubChem ID:505375
Update Time:2025-04-19

Cholestane-3,4,6,8,15-pentol,24-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,24S)- Chemical and Physical Properties

Names and Identifiers

    • Cholestane-3,4,6,8,15-pentol,24-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,24S)-
    • halityloside D
    • (3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(2R,5S)-5-[(2R,3R,4S,5S)-4-hydroxy-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethy
    • Culcitoside C1
    • 4beta-Hydroxyhalityloside E
    • 102046-49-1
    • .alpha.-L-Arabinofuranoside, (3.beta.,4.beta., 5.alpha.,6.alpha.,15.beta.,24S)-3,4,6,8,15-pentahydroxycholestan-24-yl 2-O-(2,4-di-O-methyl-.beta.-D-xylopyranosyl)-
    • CHEMBL447465
    • alpha-L-Arabinofuranoside, (3beta,4beta,5alpha,6alpha,15beta,24S)-3,4,6,8,15-pentahydroxycholestan-24-yl 2-O-(2,4-di-O-methyl-beta-D-xylopyranosyl)-
    • DTXSID90907019
    • (3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(1R,4S)-4-[(2R,3R,4S,5S)-4-hydroxy-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol
    • (-)-Culcitoside C1
    • 3,4,6,8,15-Pentahydroxycholestan-24-yl 2-O-(2,4-di-O-methylpentopyranosyl)pentofuranoside
    • (3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(2R,5S)-5-[(2R,3R,4S,5S)-4-hydroxy-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol
    • 99481-51-3
    • 620604-19-5
    • Inchi： 1S/C39H68O14/c1-18(2)24(51-36-33(30(45)25(16-40)52-36)53-35-32(49-7)31(46)26(48-6)17-50-35)9-8-19(3)20-14-22(42)34-37(20,4)13-11-27-38(5)12-10-21(41)29(44)28(38)23(43)15-39(27,34)47/h18-36,40-47H,8-17H2,1-7H3/t19-,20-,21+,22-,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33-,34-,35+,36-,37-,38-,39+/m1/s1
    • InChI Key： WRQWUNHMUXGXID-RNZYKZAGSA-N
    • SMILES： O[C@@]12C[C@@H]([C@H]3[C@H]([C@H](CC[C@]3(C)[C@H]1CC[C@]1(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)O[C@H]3[C@@H]([C@H]([C@H](CO)O3)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)OC)O)OC)C[C@H]([C@@H]21)O)O)O)O

Computed Properties

  • Exact Mass: 760.460907g/mol
  • Monoisotopic Mass: 760.460907g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 53
  • Rotatable Bond Count: 12
  • Complexity: 1230
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 21
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 760.9g/mol
  • XLogP3: 1.5
  • Topological Polar Surface Area: 217?2

Cholestane-3,4,6,8,15-pentol,24-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,24S)- Related Literature

102046-49-1 (Cholestane-3,4,6,8,15-pentol,24-[[2-O-(2,4-di-O-methyl-b-D-xylopyranosyl)-a-L-arabinofuranosyl]oxy]-, (3b,4b,5a,6a,15b,24S)-) Related Products

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