(5S,5aS,8aR,9R)-5-(chrysen-6-ylamino)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

Systemtic Name: (5S,5aS,8aR,9R)-5-(chrysen-6-ylamino)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one Openeye Name: (5S,5aS,8aR,9R)-5-(chrysen-6-ylamino)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one CAS Name: (5S,5aS,8aR,9R)-5-(6-chrysenylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one IUPAC Name: (5S,5aS,8aR,9R)-5-(chrysen-6-ylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one Traditional Name: (5S,5aS,8aR,9R)-5-(chrysen-6-ylamino)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one Formula: C39H31NO7 MolecularWeight: 625.66594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=CC8=CC=CC=C87)C9=CC=CC=C96

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=CC8=CC=CC=C87)C9=CC=CC=C96

InChI

InChI=1S/C39H31NO7/c1-43-33-13-21(14-34(44-2)38(33)41)35-27-16-31-32(47-19-46-31)17-28(27)37(29-18-45-39(42)36(29)35)40-30-15-26-22-8-4-3-7-20(22)11-12-24(26)23-9-5-6-10-25(23)30/h3-17,29,35-37,40-41H,18-19H2,1-2H3/t29-,35+,36-,37+/m0/s1