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

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-(4-hydroxyphenyl)-1-oxidanyl-4-phenyl-pent-4-enyl]-2-methyl-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenyl-pent-4-enyl]-4-(hydroxymethyl)-6-isopropyl-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-2-methyl-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-2-methyl-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenyl-pent-4-enyl]-6-isopropyl-2-methyl-4-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C30H35NO5 MolecularWeight: 489.6026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(C2C(C1)C(=O)N(C2=O)C)CO)C(CCC(=CC3=CC=C(C=C3)O)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C30H35NO5/c1-18(2)23-16-24-28(30(36)31(3)29(24)35)25(17-32)27(23)26(34)14-11-21(20-7-5-4-6-8-20)15-19-9-12-22(33)13-10-19/h4-10,12-13,15,18,24-26,28,32-34H,11,14,16-17H2,1-3H3/b21-15-/t24-,25+,26-,28-/m1/s1