(2R)-3-[3-[6-methanoyl-7-methyl-3-oxidanylidene-4-(phenylcarbonyloxy)-1H-2-benzofuran-5-yl]cyclohexen-1-yl]-2-methoxy-2-methyl-butanoic acid

Systemtic Name: (2R)-3-[3-[6-methanoyl-7-methyl-3-oxidanylidene-4-(phenylcarbonyloxy)-1H-2-benzofuran-5-yl]cyclohexen-1-yl]-2-methoxy-2-methyl-butanoic acid Openeye Name: (2R)-3-[3-(4-benzoyloxy-6-formyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)cyclohexen-1-yl]-2-methoxy-2-methyl-butanoic acid CAS Name: (2R)-3-[3-(4-benzoyloxy-6-formyl-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-1-cyclohexenyl]-2-methoxy-2-methylbutanoic acid IUPAC Name: (2R)-3-[3-(4-benzoyloxy-6-formyl-7-methyl-3-oxo-1H-2-benzofuran-5-yl)cyclohexen-1-yl]-2-methoxy-2-methylbutanoic acid Traditional Name: (2R)-3-[3-(4-benzoyloxy-6-formyl-3-keto-7-methyl-phthalan-5-yl)cyclohexen-1-yl]-2-methoxy-2-methyl-butyric acid Formula: C29H30O8 MolecularWeight: 506.5437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C3=CC=CC=C3)C4CCCC(=C4)C(C)C(C)(C(=O)O)OC)C=O

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)OC(=O)C3=CC=CC=C3)C4CCCC(=C4)C(C)[C@](C)(C(=O)O)OC)C=O

InChI

InChI=1S/C29H30O8/c1-16-21(14-30)23(20-12-8-11-19(13-20)17(2)29(3,35-4)28(33)34)25(24-22(16)15-36-27(24)32)37-26(31)18-9-6-5-7-10-18/h5-7,9-10,13-14,17,20H,8,11-12,15H2,1-4H3,(H,33,34)/t17?,20?,29-/m1/s1