6-[7-[5-ethyl-5-(5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl)-3-methyl-oxolan-2-yl]-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-nonyl]-3-methyl-2-pyridin-3-ylcarbonyloxy-benzoic acid

Systemtic Name: 6-[7-[5-ethyl-5-(5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl)-3-methyl-oxolan-2-yl]-3,5-dimethyl-4-oxidanyl-6-oxidanylidene-nonyl]-3-methyl-2-pyridin-3-ylcarbonyloxy-benzoic acid Openeye Name: 6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-3-methyl-2-(pyridine-3-carbonyloxy)benzoic acid CAS Name: 6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-2-oxanyl)-3-methyl-2-oxolanyl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-3-methyl-2-[oxo(3-pyridinyl)methoxy]benzoic acid IUPAC Name: 6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-3-methyl-2-(pyridine-3-carbonyloxy)benzoic acid Traditional Name: 6-[7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-3-methyl-tetrahydrofuran-2-yl]-4-hydroxy-6-keto-3,5-dimethyl-nonyl]-3-methyl-2-nicotinoyloxy-benzoic acid Formula: C40H57NO9 MolecularWeight: 695.88188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)C(C)C(C(C)CCC3=C(C(=C(C=C3)C)OC(=O)C4=CN=CC=C4)C(=O)O)O

Isomeric SMILES

CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)C(C)C(C(C)CCC3=C(C(=C(C=C3)C)OC(=O)C4=CN=CC=C4)C(=O)O)O

InChI

InChI=1S/C40H57NO9/c1-9-30(35-25(6)21-40(11-3,50-35)31-18-19-39(47,10-2)27(8)48-31)34(43)26(7)33(42)23(4)14-16-28-17-15-24(5)36(32(28)37(44)45)49-38(46)29-13-12-20-41-22-29/h12-13,15,17,20,22-23,25-27,30-31,33,35,42,47H,9-11,14,16,18-19,21H2,1-8H3,(H,44,45)