3-bromanyl-2-[(E)-7-[5-ethyl-5-(5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl)-3-methyl-oxolan-2-yl]-3,5-dimethyl-6-oxidanylidene-non-4-enyl]-5-methyl-6-oxidanyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[(E)-7-[5-ethyl-5-(5-ethyl-6-methyl-5-oxidanyl-oxan-2-yl)-3-methyl-oxolan-2-yl]-3,5-dimethyl-6-oxidanylidene-non-4-enyl]-5-methyl-6-oxidanyl-benzoic acid Openeye Name: 3-bromo-2-[(E)-7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-6-oxo-non-4-enyl]-6-hydroxy-5-methyl-benzoic acid CAS Name: 3-bromo-2-[(E)-7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-2-oxanyl)-3-methyl-2-oxolanyl]-3,5-dimethyl-6-oxonon-4-enyl]-6-hydroxy-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[(E)-7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3-methyloxolan-2-yl]-3,5-dimethyl-6-oxonon-4-enyl]-6-hydroxy-5-methylbenzoic acid Traditional Name: 3-bromo-2-[(E)-7-[5-ethyl-5-(5-ethyl-5-hydroxy-6-methyl-tetrahydropyran-2-yl)-3-methyl-tetrahydrofuran-2-yl]-6-keto-3,5-dimethyl-non-4-enyl]-6-hydroxy-5-methyl-benzoic acid Formula: C34H51BrO7 MolecularWeight: 651.66854

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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(=CC(C)CCC3=C(C=C(C(=C3C(=O)O)O)C)Br)C

Isomeric SMILES

CCC(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(=O)/C(=C/C(C)CCC3=C(C=C(C(=C3C(=O)O)O)C)Br)/C

InChI

InChI=1S/C34H51BrO7/c1-9-24(31-22(7)18-34(11-3,42-31)27-14-15-33(40,10-2)23(8)41-27)29(36)20(5)16-19(4)12-13-25-26(35)17-21(6)30(37)28(25)32(38)39/h16-17,19,22-24,27,31,37,40H,9-15,18H2,1-8H3,(H,38,39)/b20-16+