2-(hydroxymethyl)-4,9-dimethoxy-8-(3-methyl-1-oxidanyl-butyl)-12H-benzo[b][1,5]benzodioxocin-10-one

Systemtic Name: 2-(hydroxymethyl)-4,9-dimethoxy-8-(3-methyl-1-oxidanyl-butyl)-12H-benzo[b][1,5]benzodioxocin-10-one Openeye Name: 2-(hydroxymethyl)-8-(1-hydroxy-3-methyl-butyl)-4,9-dimethoxy-12H-benzo[b][1,5]benzodioxocin-10-one CAS Name: 2-(hydroxymethyl)-8-(1-hydroxy-3-methylbutyl)-4,9-dimethoxy-12H-benzo[b][1,5]benzodioxocin-10-one IUPAC Name: 2-(hydroxymethyl)-8-(1-hydroxy-3-methylbutyl)-4,9-dimethoxy-12H-benzo[b][1,5]benzodioxocin-10-one Traditional Name: 8-(1-hydroxy-3-methyl-butyl)-4,9-dimethoxy-2-methylol-12H-benzo[b][1,5]benzodioxocin-10-one Formula: C22H26O7 MolecularWeight: 402.43764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=C(C2=C(C=C1)OC3=C(C=C(C=C3COC2=O)CO)OC)OC)O

Isomeric SMILES

CC(C)CC(C1=C(C2=C(C=C1)OC3=C(C=C(C=C3COC2=O)CO)OC)OC)O

InChI

InChI=1S/C22H26O7/c1-12(2)7-16(24)15-5-6-17-19(21(15)27-4)22(25)28-11-14-8-13(10-23)9-18(26-3)20(14)29-17/h5-6,8-9,12,16,23-24H,7,10-11H2,1-4H3