(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-6-(methoxymethyl)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(2-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-6-(methoxymethyl)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylene]hexyl]-4-(hydroxymethyl)-6-(methoxymethyl)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-4-(hydroxymethyl)-6-(methoxymethyl)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(2-hydroxyphenyl)methylidene]hexyl]-4-(hydroxymethyl)-6-(methoxymethyl)-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-4-ethyl-1-hydroxy-5-(2-hydroxyphenyl)pent-4-enyl]-6-(methoxymethyl)-4-methylol-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C30H35NO6 MolecularWeight: 505.602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=CC=C1O)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)C4=CC=CC=C4)COC)O

Isomeric SMILES

CC/C(=C\C1=CC=CC=C1O)/CC[C@H](C2=C(C[C@@H]3[C@H]([C@H]2CO)C(=O)N(C3=O)C4=CC=CC=C4)COC)O

InChI

InChI=1S/C30H35NO6/c1-3-19(15-20-9-7-8-12-25(20)33)13-14-26(34)27-21(18-37-2)16-23-28(24(27)17-32)30(36)31(29(23)35)22-10-5-4-6-11-22/h4-12,15,23-24,26,28,32-34H,3,13-14,16-18H2,1-2H3/b19-15+/t23-,24+,26-,28-/m1/s1