[(2r,3r,4s,5r,6s)-3,4,5,6-tetrakis[(3,4,5-trisulfooxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trisulfooxybenzoate

Structural Information

Molecular Formula

C₄₁H₃₂O₇₁S₁₅

SMILES

C1=C(C=C(C(=C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)C4=CC(=C(C(=C4)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)C5=CC(=C(C(=C5)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)C6=CC(=C(C(=C6)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C41H32O71S15/c42-36(12-1-17(98-113(47,48)49)28(108-123(77,78)79)18(2-12)99-114(50,51)52)92-11-27-33(94-37(43)13-3-19(100-115(53,54)55)29(109-124(80,81)82)20(4-13)101-116(56,57)58)34(95-38(44)14-5-21(102-117(59,60)61)30(110-125(83,84)85)22(6-14)103-118(62,63)64)35(96-39(45)15-7-23(104-119(65,66)67)31(111-126(86,87)88)24(8-15)105-120(68,69)70)41(93-27)97-40(46)16-9-25(106-121(71,72)73)32(112-127(89,90)91)26(10-16)107-122(74,75)76/h1-10,27,33-35,41H,11H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)/t27-,33-,34+,35-,41+/m1/s1

InChIKey

JDZXABVBVKMXLS-NIKIMHBISA-N

Compound name

[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trisulfooxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trisulfooxybenzoate

Related CIDs

• CID 73144