(2S,3R)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-6-one

Systemtic Name: (2S,3R)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-6-one Openeye Name: (2S,3R)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran-6-one CAS Name: (2S,3R)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran-6-one IUPAC Name: (2S,3R)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-6-one Traditional Name: (2S,3R)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran-6-one Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2(C(C(OC2=CC1=O)C3=CC(=C(C=C3)OC)OC)C)OC

Isomeric SMILES

CCCC1=CC2([C@@H]([C@H](OC2=CC1=O)C3=CC(=C(C=C3)OC)OC)C)OC

InChI

InChI=1S/C21H26O5/c1-6-7-15-12-21(25-5)13(2)20(26-19(21)11-16(15)22)14-8-9-17(23-3)18(10-14)24-4/h8-13,20H,6-7H2,1-5H3/t13-,20+,21?/m1/s1