(5S,6R)-2,3-dimethoxy-10-phenylmethoxy-5,6-dihydrobenzo[b][1]benzoxepine-5,6-diol

Systemtic Name: (5S,6R)-2,3-dimethoxy-10-phenylmethoxy-5,6-dihydrobenzo[b][1]benzoxepine-5,6-diol Openeye Name: (5S,6R)-10-benzyloxy-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzoxepine-5,6-diol CAS Name: (5S,6R)-2,3-dimethoxy-10-phenylmethoxy-5,6-dihydrobenzo[b][1]benzoxepin-5,6-diol IUPAC Name: (5S,6R)-2,3-dimethoxy-10-phenylmethoxy-5,6-dihydrobenzo[b][1]benzoxepine-5,6-diol Traditional Name: (5S,6R)-10-benzoxy-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzoxepin-5,6-diol Formula: C23H22O6 MolecularWeight: 394.41718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(C3=C(O2)C(=CC=C3)OCC4=CC=CC=C4)O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)[C@@H]([C@@H](C3=C(O2)C(=CC=C3)OCC4=CC=CC=C4)O)O)OC

InChI

InChI=1S/C23H22O6/c1-26-19-11-16-18(12-20(19)27-2)29-23-15(21(24)22(16)25)9-6-10-17(23)28-13-14-7-4-3-5-8-14/h3-12,21-22,24-25H,13H2,1-2H3/t21-,22+/m1/s1