.beta.-d-glucopyranoside, (3.beta.,5.alpha.)-cholestan-3-yl 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

C₅₇H₉₈O₇₄S₁₆

SMILES

CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)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)C)C

InChI

InChI=1S/C57H98O74S16/c1-23(2)7-6-8-24(3)28-11-12-29-27-10-9-25-17-26(13-15-56(25,4)30(27)14-16-57(28,29)5)111-51-46(127-143(91,92)93)41(36(121-137(73,74)75)31(112-51)18-106-132(58,59)60)117-52-47(128-144(94,95)96)42(37(122-138(76,77)78)32(113-52)19-107-133(61,62)63)118-53-48(129-145(97,98)99)43(38(123-139(79,80)81)33(114-53)20-108-134(64,65)66)119-54-49(130-146(100,101)102)44(39(124-140(82,83)84)34(115-54)21-109-135(67,68)69)120-55-50(131-147(103,104)105)45(126-142(88,89)90)40(125-141(85,86)87)35(116-55)22-110-136(70,71)72/h23-55H,6-22H2,1-5H3,(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)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105)/t24?,25-,26-,27-,28+,29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52-,53-,54-,55-,56-,57+/m0/s1

InChIKey

JKJNUSQZZFVABX-YAMRKYRWSA-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-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-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]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate

Related CIDs

• CID 481641