(2S,3R,3aS,7aR)-3a,7a-dimethoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one

Systemtic Name: (2S,3R,3aS,7aR)-3a,7a-dimethoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one Openeye Name: (2S,3R,3aS,7aR)-5-allyl-2-(4-hydroxy-3-methoxy-phenyl)-3a,7a-dimethoxy-3-methyl-3,7-dihydro-2H-benzofuran-6-one CAS Name: (2S,3R,3aS,7aR)-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-benzofuran-6-one IUPAC Name: (2S,3R,3aS,7aR)-2-(4-hydroxy-3-methoxyphenyl)-3a,7a-dimethoxy-3-methyl-5-prop-2-enyl-3,7-dihydro-2H-1-benzofuran-6-one Traditional Name: (2S,3R,3aS,7aR)-5-allyl-2-(4-hydroxy-3-methoxy-phenyl)-3a,7a-dimethoxy-3-methyl-3,7-dihydro-2H-benzofuran-6-one Formula: C21H26O6 MolecularWeight: 374.42754

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2(C1(C=C(C(=O)C2)CC=C)OC)OC)C3=CC(=C(C=C3)O)OC

Isomeric SMILES

C[C@@H]1[C@H](O[C@]2([C@@]1(C=C(C(=O)C2)CC=C)OC)OC)C3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C21H26O6/c1-6-7-15-11-20(25-4)13(2)19(27-21(20,26-5)12-17(15)23)14-8-9-16(22)18(10-14)24-3/h6,8-11,13,19,22H,1,7,12H2,2-5H3/t13-,19+,20+,21-/m1/s1