[(7R,8S,8aS)-7-methyl-8-oxidanyl-6-oxidanylidene-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 2-methoxy-6-methyl-4-oxidanyl-benzoate

Systemtic Name: [(7R,8S,8aS)-7-methyl-8-oxidanyl-6-oxidanylidene-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 2-methoxy-6-methyl-4-oxidanyl-benzoate Openeye Name: [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 4-hydroxy-2-methoxy-6-methyl-benzoate CAS Name: 4-hydroxy-2-methoxy-6-methylbenzoic acid [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-2-benzopyran-7-yl] ester IUPAC Name: [(7R,8S,8aS)-8-hydroxy-7-methyl-6-oxo-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] 4-hydroxy-2-methoxy-6-methylbenzoate Traditional Name: 4-hydroxy-2-methoxy-6-methyl-benzoic acid [(7R,8S,8aS)-8-hydroxy-6-keto-7-methyl-3-propyl-8,8a-dihydro-1H-isochromen-7-yl] ester Formula: C22H26O7 MolecularWeight: 402.43764

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=CC(=O)C(C(C2CO1)O)(C)OC(=O)C3=C(C=C(C=C3C)O)OC

Isomeric SMILES

CCCC1=CC2=CC(=O)[C@]([C@H]([C@@H]2CO1)O)(C)OC(=O)C3=C(C=C(C=C3C)O)OC

InChI

InChI=1S/C22H26O7/c1-5-6-15-8-13-9-18(24)22(3,20(25)16(13)11-28-15)29-21(26)19-12(2)7-14(23)10-17(19)27-4/h7-10,16,20,23,25H,5-6,11H2,1-4H3/t16-,20+,22+/m1/s1