6-[2-(hydroxymethyl)-2-(octadecanoyloxymethyl)-3-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-propoxy]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-(hydroxymethyl)-2-(octadecanoyloxymethyl)-3-[2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoyl]oxy-propoxy]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-(hydroxymethyl)-2-(octadecanoyloxymethyl)-3-(2,3,4-trihydroxy-4-oxo-butanoyl)oxy-propoxy]-6-oxo-hexanoic acid CAS Name: 6-[2-(hydroxymethyl)-2-(1-oxooctadecoxymethyl)-3-(2,3,4-trihydroxy-1,4-dioxobutoxy)propoxy]-6-oxohexanoic acid IUPAC Name: 6-[2-(hydroxymethyl)-2-(octadecanoyloxymethyl)-3-(2,3,4-trihydroxy-4-oxobutanoyl)oxypropoxy]-6-oxohexanoic acid Traditional Name: 6-keto-6-[2-methylol-2-(stearoyloxymethyl)-3-(2,3,4-trihydroxy-4-keto-butanoyl)oxy-propoxy]hexanoic acid Formula: C33H58O13 MolecularWeight: 662.80582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCC(=O)O)COC(=O)C(C(C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCC(=O)O)COC(=O)C(C(C(=O)O)O)O

InChI

InChI=1S/C33H58O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(37)44-23-33(22-34,24-45-28(38)21-18-17-19-26(35)36)25-46-32(43)30(40)29(39)31(41)42/h29-30,34,39-40H,2-25H2,1H3,(H,35,36)(H,41,42)