(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-(3-hydroxyphenyl)-4-methyl-1-oxidanyl-pent-4-enyl]-2-(4-phenylazanylphenyl)-6-propyl-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-(4-phenylazanylphenyl)-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-methyl-pent-4-enyl]-4-(hydroxymethyl)-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-methyl-pent-4-enyl]-4-methylol-6-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C36H40N2O5 MolecularWeight: 580.7132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC4=CC=CC=C4)CO)C(CCC(=CC5=CC(=CC=C5)O)C)O

Isomeric SMILES

CCCC1=C([C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC4=CC=CC=C4)CO)[C@@H](CC/C(=C/C5=CC(=CC=C5)O)/C)O

InChI

InChI=1S/C36H40N2O5/c1-3-8-25-21-30-34(31(22-39)33(25)32(41)18-13-23(2)19-24-9-7-12-29(40)20-24)36(43)38(35(30)42)28-16-14-27(15-17-28)37-26-10-5-4-6-11-26/h4-7,9-12,14-17,19-20,30-32,34,37,39-41H,3,8,13,18,21-22H2,1-2H3/b23-19+/t30-,31+,32-,34-/m1/s1