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

Systemtic Name: [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-5-sulfooxy-3-undecanoyloxy-oxan-4-yl] undecanoate Openeye Name: [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-5-sulfooxy-3-undecanoyloxy-tetrahydropyran-4-yl] undecanoate CAS Name: undecanoic acid [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-3-(1-oxoundecoxy)-5-sulfooxy-4-oxanyl] ester IUPAC Name: [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-5-sulfooxy-3-undecanoyloxyoxan-4-yl] undecanoate Traditional Name: undecanoic acid [(3R,4R,5R,6R)-2-methoxy-6-(methoxymethyl)-5-sulfoxy-3-undecanoyloxy-tetrahydropyran-4-yl] ester Formula: C30H56O11S MolecularWeight: 624.82404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1C(C(OC(C1OC(=O)CCCCCCCCCC)OC)COC)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H56O11S/c1-5-7-9-11-13-15-17-19-21-25(31)39-28-27(41-42(33,34)35)24(23-36-3)38-30(37-4)29(28)40-26(32)22-20-18-16-14-12-10-8-6-2/h24,27-30H,5-23H2,1-4H3,(H,33,34,35)/t24-,27-,28+,29-,30?/m1/s1