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

Structural Information

Molecular Formula

C₃₆H₆₄O₇₄S₁₆

SMILES

CC(C)(C)CCO[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)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)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)OS(=O)(=O)O

InChI

InChI=1S/C36H64O74S16/c1-36(2,3)4-5-85-31-26(106-122(70,71)72)21(16(100-116(52,53)54)11(91-31)6-86-111(37,38)39)96-32-27(107-123(73,74)75)22(17(101-117(55,56)57)12(92-32)7-87-112(40,41)42)97-33-28(108-124(76,77)78)23(18(102-118(58,59)60)13(93-33)8-88-113(43,44)45)98-34-29(109-125(79,80)81)24(19(103-119(61,62)63)14(94-34)9-89-114(46,47)48)99-35-30(110-126(82,83)84)25(105-121(67,68)69)20(104-120(64,65)66)15(95-35)10-90-115(49,50)51/h11-35H,4-10H2,1-3H3,(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)(H,76,77,78)(H,79,80,81)(H,82,83,84)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+/m1/s1

InChIKey

HVRFLMDBMAIBNT-ZIGQRQEOSA-N

Compound name

[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-(3,3-dimethylbutoxy)-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate

Related CIDs

• CID 481637