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

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-(3-hydroxyphenyl)-4-methyl-1-oxidanyl-pent-4-enyl]-2-(3-nitrophenyl)-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-methyl-pent-4-enyl]-4-(hydroxymethyl)-2-(3-nitrophenyl)-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-2-(3-nitrophenyl)-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-2-(3-nitrophenyl)-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-methyl-pent-4-enyl]-4-methylol-2-(3-nitrophenyl)-6-(phenoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C34H34N2O8 MolecularWeight: 598.64236

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=CC=C1)O)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])COC5=CC=CC=C5)O

Isomeric SMILES

C/C(=C\C1=CC(=CC=C1)O)/CC[C@H](C2=C(C[C@@H]3[C@H]([C@H]2CO)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-])COC5=CC=CC=C5)O

InChI

InChI=1S/C34H34N2O8/c1-21(15-22-7-5-10-26(38)16-22)13-14-30(39)31-23(20-44-27-11-3-2-4-12-27)17-28-32(29(31)19-37)34(41)35(33(28)40)24-8-6-9-25(18-24)36(42)43/h2-12,15-16,18,28-30,32,37-39H,13-14,17,19-20H2,1H3/b21-15+/t28-,29+,30-,32-/m1/s1