M6s12

Structural Information

Molecular Formula

C₄₈H₈₆O₇₃S₁₄

SMILES

CCCCCCCCCCCCOC1C(C(C(C(O1)COS(=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)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C48H86O73S14/c1-2-3-4-5-6-7-8-9-10-11-12-96-46-39(118-132(84,85)86)25(49)30(19(106-46)13-97-122(54,55)56)109-43-27(51)36(115-129(75,76)77)32(21(103-43)15-99-124(60,61)62)111-44-28(52)37(116-130(78,79)80)33(22(104-44)16-100-125(63,64)65)113-47-40(119-133(87,88)89)26(50)31(20(107-47)14-98-123(57,58)59)110-48-42(121-135(93,94)95)41(120-134(90,91)92)34(23(108-48)17-101-126(66,67)68)112-45-29(53)38(117-131(81,82)83)35(114-128(72,73)74)24(105-45)18-102-127(69,70)71/h19-53H,2-18H2,1H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)

InChIKey

PFFFKNGWGXJRKI-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 467514