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

Systemtic Name: (5S,5aS,8aR,9R)-5-[(5-azanyl-2-oxidanyl-phenyl)amino]-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one hydrochloride Openeye Name: (5S,5aS,8aR,9R)-5-(5-amino-2-hydroxy-anilino)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one hydrochloride CAS Name: (5S,5aS,8aR,9R)-5-(5-amino-2-hydroxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one hydrochloride IUPAC Name: (5S,5aS,8aR,9R)-5-(5-amino-2-hydroxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one hydrochloride Traditional Name: (5S,5aS,8aR,9R)-5-(5-amino-2-hydroxy-anilino)-9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-8-one hydrochloride Formula: C27H27ClN2O8 MolecularWeight: 542.96488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=C(C=CC(=C6)N)O.Cl

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=C(C=CC(=C6)N)O.Cl

InChI

InChI=1S/C27H26N2O8.ClH/c1-33-21-5-12(6-22(34-2)26(21)31)23-14-8-19-20(37-11-36-19)9-15(14)25(16-10-35-27(32)24(16)23)29-17-7-13(28)3-4-18(17)30;/h3-9,16,23-25,29-31H,10-11,28H2,1-2H3;1H/t16-,23+,24-,25+;/m0./s1