Refchem:990361

Structural Information

Molecular Formula

C₃₆H₆₂O₇₀S₁₃

SMILES

C(C1C(C(C(C(O1)O)O)OS(=O)(=O)O)OC2C(C(C(C(O2)COS(=O)(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)COS(=O)(=O)O)OC5C(C(C(C(O5)COS(=O)(=O)O)OC6C(C(C(C(O6)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C36H62O70S13/c37-13-19(7(1-83-107(44,45)46)93-35(29(13)105-118(77,78)79)98-21-9(3-85-109(50,51)52)89-31(43)15(39)25(21)101-114(65,66)67)96-33-17(41)27(103-116(71,72)73)23(11(91-33)5-87-111(56,57)58)99-36-30(106-119(80,81)82)14(38)20(8(94-36)2-84-108(47,48)49)95-32-16(40)26(102-115(68,69)70)22(10(90-32)4-86-110(53,54)55)97-34-18(42)28(104-117(74,75)76)24(100-113(62,63)64)12(92-34)6-88-112(59,60)61/h7-43H,1-6H2,(H,44,45,46)(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)

InChIKey

QNDJNXMICKEJLE-UHFFFAOYSA-N

Compound name

[2,3-dihydroxy-5-[4-hydroxy-5-[3-hydroxy-5-[4-hydroxy-5-[3-hydroxy-5-[3-hydroxy-4,5-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate

Related CIDs

• CID 467513