(6S,6aS,9aS)-6,9a-dimethyl-6a-oxidanyl-3'-(2,4,6-triethoxyphenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2,3-triazole]-2,9-dione

Systemtic Name: (6S,6aS,9aS)-6,9a-dimethyl-6a-oxidanyl-3'-(2,4,6-triethoxyphenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-1,2,3-triazole]-2,9-dione Openeye Name: (6S,6aS,9aS)-6a-hydroxy-6,9a-dimethyl-3'-(2,4,6-triethoxyphenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-triazole]-2,9-dione CAS Name: (6S,6aS,9aS)-6a-hydroxy-6,9a-dimethyl-3'-(2,4,6-triethoxyphenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-triazole]-2,9-dione IUPAC Name: (6S,6aS,9aS)-6a-hydroxy-6,9a-dimethyl-3'-(2,4,6-triethoxyphenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-triazole]-2,9-dione Traditional Name: (6S,6aS,9aS)-6a-hydroxy-6,9a-dimethyl-3'-(2,4,6-triethoxyphenyl)spiro[4,5,6,9b-tetrahydro-3aH-azuleno[8,7-b]furan-3,5'-4H-triazole]-2,9-quinone Formula: C27H35N3O7 MolecularWeight: 513.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)OCC)N2CC3(C4CCC(C5(C=CC(=O)C5(C4OC3=O)C)O)C)N=N2)OCC

Isomeric SMILES

CCOC1=CC(=C(C(=C1)OCC)N2CC3(C4CC[C@@H]([C@@]5(C=CC(=O)[C@]5(C4OC3=O)C)O)C)N=N2)OCC

InChI

InChI=1S/C27H35N3O7/c1-6-34-17-13-19(35-7-2)22(20(14-17)36-8-3)30-15-26(28-29-30)18-10-9-16(4)27(33)12-11-21(31)25(27,5)23(18)37-24(26)32/h11-14,16,18,23,33H,6-10,15H2,1-5H3/t16-,18?,23?,25-,26?,27+/m0/s1