4-[2-[6-methoxycarbonyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-4-pentadecyl-phenyl]carbonyloxy-2-methyl-6-oxidanyl-benzoic acid

Systemtic Name: 4-[2-[6-methoxycarbonyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-4-pentadecyl-phenyl]carbonyloxy-2-methyl-6-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[2-hydroxy-4-pentadecyl-6-(3,4,5-trihydroxy-6-methoxycarbonyl-tetrahydropyran-2-yl)oxy-benzoyl]oxy-6-methyl-benzoic acid CAS Name: 2-hydroxy-4-[[2-hydroxy-4-pentadecyl-6-[(3,4,5-trihydroxy-6-methoxycarbonyl-2-oxanyl)oxy]phenyl]-oxomethoxy]-6-methylbenzoic acid IUPAC Name: 2-hydroxy-4-[2-hydroxy-4-pentadecyl-6-(3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl)oxybenzoyl]oxy-6-methylbenzoic acid Traditional Name: 4-[2-(6-carbomethoxy-3,4,5-trihydroxy-tetrahydropyran-2-yl)oxy-6-hydroxy-4-pentadecyl-benzoyl]oxy-2-hydroxy-6-methyl-benzoic acid Formula: C37H52O13 MolecularWeight: 704.80098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=C(C(=C1)OC2C(C(C(C(O2)C(=O)OC)O)O)O)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=C(C(=C1)OC2C(C(C(C(O2)C(=O)OC)O)O)O)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O

InChI

InChI=1S/C37H52O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-25(38)29(35(45)48-24-18-22(2)28(34(43)44)26(39)21-24)27(20-23)49-37-32(42)30(40)31(41)33(50-37)36(46)47-3/h18-21,30-33,37-42H,4-17H2,1-3H3,(H,43,44)