4-decoxy-6-(hydroxymethyl)-3-(3-oxidanylidenetetradecanoylamino)-5-prop-2-enoxycarbonyloxy-oxan-2-olate

Systemtic Name: 4-decoxy-6-(hydroxymethyl)-3-(3-oxidanylidenetetradecanoylamino)-5-prop-2-enoxycarbonyloxy-oxan-2-olate Openeye Name: 5-allyloxycarbonyloxy-4-decoxy-6-(hydroxymethyl)-3-(3-oxotetradecanoylamino)tetrahydropyran-2-olate CAS Name: 4-decoxy-3-(1,3-dioxotetradecylamino)-6-(hydroxymethyl)-5-[oxo(prop-2-enoxy)methoxy]-2-oxanolate IUPAC Name: 4-decoxy-6-(hydroxymethyl)-3-(3-oxotetradecanoylamino)-5-prop-2-enoxycarbonyloxyoxan-2-olate Traditional Name: 5-allyloxycarbonyloxy-4-decoxy-3-(3-ketotetradecanoylamino)-6-methylol-tetrahydropyran-2-olate Formula: C34H60NO9- MolecularWeight: 626.8415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)CC(=O)NC1C(C(C(OC1[O-])CO)OC(=O)OCC=C)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)CC(=O)NC1C(C(C(OC1[O-])CO)OC(=O)OCC=C)OCCCCCCCCCC

InChI

InChI=1S/C34H60NO9/c1-4-7-9-11-13-15-16-18-20-22-27(37)25-29(38)35-30-32(41-24-21-19-17-14-12-10-8-5-2)31(28(26-36)43-33(30)39)44-34(40)42-23-6-3/h6,28,30-33,36H,3-5,7-26H2,1-2H3,(H,35,38)/q-1