Cas no 120583-62-2 ((11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid)

(11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid structure
120583-62-2 structure
Product Name:(11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
CAS No:120583-62-2
MF:C46H82O24
MW:1019.12889814377
CID:199268
Update Time:2024-02-29

(11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid Chemical and Physical Properties

Names and Identifiers

    • Mammoside J
    • operculinic acid A
    • 2)-6-deoxy-b-D-galactopyranosyl)oxy]-, (11S)-
    • 2)-6-deoxy-b-D-galactopyranosyl)oxy]-, (S)-
    • 3)]-O-6-deoxy-a-L-mannopyranosyl-(
    • 3)]-O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • 4)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
    • (11S)-11-[[2-O-[4-O-(4-O-α-L-Rhamnopyranosyl-3-O-β-D-glucopyranosyl-α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl]-β-D-fucopyranosyl]oxy]hexadecanoic acid
    • (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-
    • (-)-Operculinic acid A
    • (11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
    • Inchi： 1S/C46H82O24/c1-6-7-13-16-24(17-14-11-9-8-10-12-15-18-26(48)49)65-46-41(32(55)28(51)21(3)62-46)70-43-36(59)33(56)38(22(4)63-43)67-45-37(60)40(69-44-35(58)31(54)29(52)25(19-47)66-44)39(23(5)64-45)68-42-34(57)30(53)27(50)20(2)61-42/h20-25,27-47,50-60H,6-19H2,1-5H3,(H,48,49)/t20-,21+,22-,23-,24-,25+,27-,28-,29+,30+,31-,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42-,43-,44-,45-,46-/m0/s1
    • InChI Key： RMSDLBJXDTYRAX-SRWHAWSISA-N
    • SMILES： O([C@H]1[C@H](C)O[C@H]([C@@H]([C@@H]1O)O)O[C@H]1[C@H](O[C@@H](CCCCC)CCCCCCCCCC(=O)O)O[C@H](C)[C@@H]([C@@H]1O)O)[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 24
  • Heavy Atom Count: 70
  • Rotatable Bond Count: 25
  • Complexity: 1520
  • Topological Polar Surface Area: 372
  • XLogP3: 1.041

Experimental Properties

  • PSA: 372.36000
  • LogP: -2.24550

(11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid Related Literature

Related Categories

120583-62-2 ((11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid) Related Products

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