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-(2-methylpropanoyloxy)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-(2-methylpropanoyloxy)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-(2-methylpropanoyloxy)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-(2-methyl-1-oxopropoxy)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-(2-methylpropanoyloxy)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]-2-isobutyryloxy-3-methyl-benzoic acid Formula: C38H60O9 MolecularWeight: 660.8776

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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)C(C)C)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)C(C)C)C(=O)O)O

InChI

InChI=1S/C38H60O9/c1-11-28(33-24(8)20-38(13-3,47-33)29-18-19-37(44,12-2)26(10)45-29)32(40)25(9)31(39)22(6)14-16-27-17-15-23(7)34(30(27)35(41)42)46-36(43)21(4)5/h15,17,21-22,24-26,28-29,31,33,39,44H,11-14,16,18-20H2,1-10H3,(H,41,42)