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

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-[5-(hydroxymethyl)furan-2-yl]-4-methyl-1-oxidanyl-pent-4-enyl]-6-methyl-2-(4-phenylazanylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-[5-(hydroxymethyl)-2-furyl]-4-methyl-pent-4-enyl]-4-(hydroxymethyl)-6-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-[5-(hydroxymethyl)-2-furanyl]-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-5-[5-(hydroxymethyl)furan-2-yl]-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-2-(4-anilinophenyl)-5-[(E,1R)-1-hydroxy-4-methyl-5-(5-methylol-2-furyl)pent-4-enyl]-6-methyl-4-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C33H36N2O6 MolecularWeight: 556.64874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)NC4=CC=CC=C4)CO)C(CCC(=CC5=CC=C(O5)CO)C)O

Isomeric SMILES

CC1=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=C(O5)CO)/C)O

InChI

InChI=1S/C33H36N2O6/c1-20(16-25-13-14-26(18-36)41-25)8-15-29(38)30-21(2)17-27-31(28(30)19-37)33(40)35(32(27)39)24-11-9-23(10-12-24)34-22-6-4-3-5-7-22/h3-7,9-14,16,27-29,31,34,36-38H,8,15,17-19H2,1-2H3/b20-16+/t27-,28+,29-,31-/m1/s1