(2R,4aR,8aS)-5-bromanyl-6-[(3,4-dimethoxyphenyl)methoxymethyl]-4a-methyl-2-phenyl-4,7,8,8a-tetrahydro-1,3-benzodioxine

Systemtic Name: (2R,4aR,8aS)-5-bromanyl-6-[(3,4-dimethoxyphenyl)methoxymethyl]-4a-methyl-2-phenyl-4,7,8,8a-tetrahydro-1,3-benzodioxine Openeye Name: (2R,4aR,8aS)-5-bromo-6-[(3,4-dimethoxyphenyl)methoxymethyl]-4a-methyl-2-phenyl-4,7,8,8a-tetrahydro-1,3-benzodioxine CAS Name: (2R,4aR,8aS)-5-bromo-6-[(3,4-dimethoxyphenyl)methoxymethyl]-4a-methyl-2-phenyl-4,7,8,8a-tetrahydro-1,3-benzodioxin IUPAC Name: (2R,4aR,8aS)-5-bromo-6-[(3,4-dimethoxyphenyl)methoxymethyl]-4a-methyl-2-phenyl-4,7,8,8a-tetrahydro-1,3-benzodioxine Traditional Name: (2R,4aR,8aS)-5-bromo-4a-methyl-2-phenyl-6-(veratryloxymethyl)-4,7,8,8a-tetrahydro-1,3-benzodioxin Formula: C25H29BrO5 MolecularWeight: 489.39876

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Descriptors Computed from Structure

Canonical SMILES:

CC12COC(OC1CCC(=C2Br)COCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

C[C@@]12CO[C@H](O[C@H]1CCC(=C2Br)COCC3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H29BrO5/c1-25-16-30-24(18-7-5-4-6-8-18)31-22(25)12-10-19(23(25)26)15-29-14-17-9-11-20(27-2)21(13-17)28-3/h4-9,11,13,22,24H,10,12,14-16H2,1-3H3/t22-,24+,25+/m0/s1