2-butanoyloxy-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-benzoic acid

Systemtic Name: 2-butanoyloxy-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-benzoic acid Openeye Name: 2-butanoyloxy-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-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-(1-oxobutoxy)benzoic acid IUPAC Name: 2-butanoyloxy-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-methylbenzoic acid Traditional Name: 2-butyryloxy-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-benzoic acid Formula: C38H60O9 MolecularWeight: 660.8776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=CC(=C1C(=O)O)CCC(C)C(C(C)C(=O)C(CC)C2C(CC(O2)(CC)C3CCC(C(O3)C)(CC)O)C)O)C

Isomeric SMILES

CCCC(=O)OC1=C(C=CC(=C1C(=O)O)CCC(C)C(C(C)C(=O)C(CC)C2C(CC(O2)(CC)C3CCC(C(O3)C)(CC)O)C)O)C

InChI

InChI=1S/C38H60O9/c1-10-14-30(39)46-35-23(6)16-18-27(31(35)36(42)43)17-15-22(5)32(40)25(8)33(41)28(11-2)34-24(7)21-38(13-4,47-34)29-19-20-37(44,12-3)26(9)45-29/h16,18,22,24-26,28-29,32,34,40,44H,10-15,17,19-21H2,1-9H3,(H,42,43)