.beta.-d-glucopyranoside, dodecyl o-2,3,4,6-tetra-o-sulfo-.beta.-d-glucopyranosyl-(1->3)-o-2,4,6-tri-o-sulfo-.beta.-d-glucopyranosyl-(1->3)-o-2,4,6-tri-o-sulfo-.beta.d-glucopyranosyl-(1->3)-, 2,4,6-tris(hydrogen sulfate)

Structural Information

Molecular Formula

C₃₆H₆₆O₆₀S₁₃

SMILES

CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C36H66O60S13/c1-2-3-4-5-6-7-8-9-10-11-12-76-33-29(93-106(64,65)66)25(21(88-101(49,50)51)17(81-33)13-77-97(37,38)39)85-34-30(94-107(67,68)69)26(22(89-102(52,53)54)18(82-34)14-78-98(40,41)42)86-35-31(95-108(70,71)72)27(23(90-103(55,56)57)19(83-35)15-79-99(43,44)45)87-36-32(96-109(73,74)75)28(92-105(61,62)63)24(91-104(58,59)60)20(84-36)16-80-100(46,47)48/h17-36H,2-16H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/t17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29-,30-,31-,32-,33-,34+,35+,36+/m1/s1

InChIKey

XEVFLBNTKOUCGA-JJKPRILUSA-N

Compound name

[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-disulfooxy-6-(sulfooxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-dodecoxy-3,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate

Related CIDs

• CID 481627