M6s18

Structural Information

Molecular Formula

C₅₄H₉₈O₇₀S₁₃

SMILES

CCCCCCCCCCCCCCCCCCOC1C(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)O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C54H98O70S13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-100-49-33(57)43(119-132(82,83)84)39(27(107-49)21-103-127(67,68)69)115-51-35(59)45(121-134(88,89)90)41(29(109-51)23-105-129(73,74)75)117-54-48(124-137(97,98)99)32(56)38(26(112-54)20-102-126(64,65)66)114-53-47(123-136(94,95)96)31(55)37(25(111-53)19-101-125(61,62)63)113-50-34(58)44(120-133(85,86)87)40(28(108-50)22-104-128(70,71)72)116-52-36(60)46(122-135(91,92)93)42(118-131(79,80)81)30(110-52)24-106-130(76,77)78/h25-60H,2-24H2,1H3,(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)

InChIKey

BAPNXDFIFSPUAU-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 467515