[(2R,3R)-2-[4-hexadecanoyloxy-3,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(2R,3R)-2-[4-hexadecanoyloxy-3,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(2R,3R)-2-(4-hexadecanoyloxy-3,5-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-[3,5-dihydroxy-4-(1-oxohexadecoxy)phenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2R,3R)-2-(4-hexadecanoyloxy-3,5-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(2R,3R)-2-(4-hexadecanoyloxy-3,5-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl] ester Formula: C38H48O12 MolecularWeight: 696.78052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1O)C2C(CC3=C(C=C(C=C3O2)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1O)[C@@H]2[C@@H](CC3=C(C=C(C=C3O2)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

InChI

InChI=1S/C38H48O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-34(45)50-37-30(43)16-23(17-31(37)44)36-33(22-26-27(40)20-25(39)21-32(26)48-36)49-38(47)24-18-28(41)35(46)29(42)19-24/h16-21,33,36,39-44,46H,2-15,22H2,1H3/t33-,36-/m1/s1