2-[(3aR,4R,9S)-4-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-oxidanylidene-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-9-yl]ethanal

Systemtic Name: 2-[(3aR,4R,9S)-4-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-oxidanylidene-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-9-yl]ethanal Openeye Name: 2-[(3aR,4R,9S)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-oxo-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-9-yl]acetaldehyde CAS Name: 2-[(3aR,4R,9S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-oxo-3a,4,9,9a-tetrahydro-1H-benzo[f]isobenzofuran-9-yl]acetaldehyde IUPAC Name: 2-[(3aR,4R,9S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-oxo-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-9-yl]acetaldehyde Traditional Name: 2-[(3aR,4R,9S)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-keto-3a,4,9,9a-tetrahydro-1H-benz[f]isobenzofuran-9-yl]acetaldehyde Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC=CC=C24)CC=O

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](C4=CC=CC=C24)CC=O

InChI

InChI=1S/C22H22O6/c1-26-17-9-12(10-18(27-2)21(17)24)19-15-6-4-3-5-13(15)14(7-8-23)16-11-28-22(25)20(16)19/h3-6,8-10,14,16,19-20,24H,7,11H2,1-2H3/t14-,16?,19-,20+/m1/s1