Cas no 30657-78-4 ((3S,11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-methyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxytetradecanoic acid)

(3S,11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-methyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxytetradecanoic acid structure
30657-78-4 structure
Product Name:(3S,11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-methyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxytetradecanoic acid
CAS No:30657-78-4
MF:C50H88O30
MW:1169.21574020386
CID:310777
Update Time:2024-03-01

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

Names and Identifiers

    • Tetradecanoic acid,11-[(O-6-deoxy-a-L-mannopyranosyl-(1®3)-O-6-deoxy-b-D-glucopyranosyl-(1®4)-O-6-deoxy-a-L-mannopyranosyl-(1®6)-O-[6-deoxy-a-L-mannopyranosyl-(1®2)-O-b-D-glucopyranosyl-(1®2)]-b-D-glucopyranosyl)oxy]-3-hydroxy- (8CI,9CI)
    • Pharbiticacid D
    • Pharbitic acid D
    • (3S,11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R,6R)-3,5-Dihydr
    • (3S,11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-methyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxytetradecanoic acid
    • Inchi： 1S/C50H88O30/c1-6-12-23(14-11-9-7-8-10-13-22(52)15-26(53)54)74-49-43(35(63)31(59)25(76-49)17-69-45-37(65)32(60)27(55)18(2)70-45)80-50-44(34(62)30(58)24(16-51)75-50)79-47-39(67)36(64)41(21(5)73-47)77-48-40(68)42(29(57)20(4)72-48)78-46-38(66)33(61)28(56)19(3)71-46/h18-25,27-52,55-68H,6-17H2,1-5H3,(H,53,54)/t18-,19-,20+,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-,47-,48-,49+,50-/m0/s1
    • InChI Key： BDRSIIATOXLDQS-FFPJSITRSA-N
    • SMILES： 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[C@H]1[C@@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O)O)[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@H]1O[C@H]1[C@H](O[C@@H](CCC)CCCCCCC[C@@H](CC(=O)O)O)O[C@H](CO[C@H]2[C@@H]([C@@H]([C@H]([C@H](C)O2)O)O)O)[C@H]([C@@H]1O)O)O)O

Computed Properties

  • Exact Mass: 1168.536
  • Monoisotopic Mass: 1168.536
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 17
  • Hydrogen Bond Acceptor Count: 30
  • Heavy Atom Count: 80
  • Rotatable Bond Count: 26
  • Complexity: 1830
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 32
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 472

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

Related Categories

30657-78-4 ((3S,11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-methyl-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxytetradecanoic acid) Related Products

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