[(3R,4R,5R,6R)-4-dodecanoyloxy-6-(methoxymethyl)-2-methylsulfanyl-5-sulfooxy-oxan-3-yl] tridecanoate

Systemtic Name: [(3R,4R,5R,6R)-4-dodecanoyloxy-6-(methoxymethyl)-2-methylsulfanyl-5-sulfooxy-oxan-3-yl] tridecanoate Openeye Name: [(3R,4R,5R,6R)-4-dodecanoyloxy-6-(methoxymethyl)-2-methylsulfanyl-5-sulfooxy-tetrahydropyran-3-yl] tridecanoate CAS Name: tridecanoic acid [(3R,4R,5R,6R)-6-(methoxymethyl)-2-(methylthio)-4-(1-oxododecoxy)-5-sulfooxy-3-oxanyl] ester IUPAC Name: [(3R,4R,5R,6R)-4-dodecanoyloxy-6-(methoxymethyl)-2-methylsulfanyl-5-sulfooxyoxan-3-yl] tridecanoate Traditional Name: tridecanoic acid [(3R,4R,5R,6R)-4-lauroyloxy-6-(methoxymethyl)-2-(methylthio)-5-sulfoxy-tetrahydropyran-3-yl] ester Formula: C33H62O10S2 MolecularWeight: 682.96938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1C(C(C(OC1SC)COC)OS(=O)(=O)O)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@H]([C@H](OC1SC)COC)OS(=O)(=O)O)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C33H62O10S2/c1-5-7-9-11-13-15-17-19-21-23-25-29(35)42-32-31(41-28(34)24-22-20-18-16-14-12-10-8-6-2)30(43-45(36,37)38)27(26-39-3)40-33(32)44-4/h27,30-33H,5-26H2,1-4H3,(H,36,37,38)/t27-,30-,31+,32-,33?/m1/s1