(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-(2-hydroxyphenyl)-4-methyl-1-oxidanyl-pent-4-enyl]-2-(3-nitrophenyl)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-(2-hydroxyphenyl)-4-methyl-1-oxidanyl-pent-4-enyl]-2-(3-nitrophenyl)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methyl-pent-4-enyl]-4-(hydroxymethyl)-6-isopropyl-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-2-(3-nitrophenyl)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-2-(3-nitrophenyl)-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methyl-pent-4-enyl]-6-isopropyl-4-methylol-2-(3-nitrophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C30H34N2O7 MolecularWeight: 534.60016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(C2C(C1)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])CO)C(CCC(=CC4=CC=CC=C4O)C)O

Isomeric SMILES

CC(C)C1=C([C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])CO)[C@@H](CC/C(=C/C4=CC=CC=C4O)/C)O

InChI

InChI=1S/C30H34N2O7/c1-17(2)22-15-23-28(30(37)31(29(23)36)20-8-6-9-21(14-20)32(38)39)24(16-33)27(22)26(35)12-11-18(3)13-19-7-4-5-10-25(19)34/h4-10,13-14,17,23-24,26,28,33-35H,11-12,15-16H2,1-3H3/b18-13+/t23-,24+,26-,28-/m1/s1