.beta.-d-glucopyranoside, 12-(sulfooxy)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)-o-2,4,6-tri-o-sulfo-.beta.-d-glucopyranosyl-(1->3)-, 2,4,6-tris(hydrogen sulfate)

Structural Information

Molecular Formula

C₄₂H₇₆O₇₈S₁₇

SMILES

C(CCCCCCOS(=O)(=O)O)CCCCCO[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/C42H76O78S17/c43-121(44,45)95-12-10-8-6-4-2-1-3-5-7-9-11-94-38-33(116-133(79,80)81)28(23(110-127(61,62)63)18(101-38)13-96-122(46,47)48)106-39-34(117-134(82,83)84)29(24(111-128(64,65)66)19(102-39)14-97-123(49,50)51)107-40-35(118-135(85,86)87)30(25(112-129(67,68)69)20(103-40)15-98-124(52,53)54)108-41-36(119-136(88,89)90)31(26(113-130(70,71)72)21(104-41)16-99-125(55,56)57)109-42-37(120-137(91,92)93)32(115-132(76,77)78)27(114-131(73,74)75)22(105-42)17-100-126(58,59)60/h18-42H,1-17H2,(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)(H,85,86,87)(H,88,89,90)(H,91,92,93)/t18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+/m1/s1

InChIKey

WSSIXRKHYLOSCJ-JYSSIIFQSA-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)-3,5-disulfooxy-2-(12-sulfooxydodecoxy)-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 481635