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

Systemtic Name: [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-5-sulfooxy-3-tridecanoyloxy-oxan-4-yl] tridecanoate Openeye Name: [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-5-sulfooxy-3-tridecanoyloxy-tetrahydropyran-4-yl] tridecanoate CAS Name: tridecanoic acid [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-3-(1-oxotridecoxy)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-5-sulfooxy-3-tridecanoyloxyoxan-4-yl] tridecanoate Traditional Name: tridecanoic acid [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-5-sulfoxy-3-tridecanoyloxy-tetrahydropyran-4-yl] ester Formula: C34H64O11S MolecularWeight: 680.93036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1C(C(OC(C1OC(=O)CCCCCCCCCCCC)OC)COC)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C34H64O11S/c1-5-7-9-11-13-15-17-19-21-23-25-29(35)43-32-31(45-46(37,38)39)28(27-40-3)42-34(41-4)33(32)44-30(36)26-24-22-20-18-16-14-12-10-8-6-2/h28,31-34H,5-27H2,1-4H3,(H,37,38,39)/t28-,31-,32+,33-,34?/m1/s1