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

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-(2-hydroxyphenyl)-4-methyl-1-oxidanyl-pent-4-enyl]-6-methyl-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methyl-pent-4-enyl]-4-(hydroxymethyl)-6-methyl-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-methyl-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-methyl-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methyl-pent-4-enyl]-6-methyl-4-methylol-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2CC(=C(C(C2C1=O)CO)C(CCC(=CC3=CC=CC=C3O)C)O)C

Isomeric SMILES

CCCN1C(=O)[C@@H]2CC(=C([C@@H]([C@@H]2C1=O)CO)[C@@H](CC/C(=C/C3=CC=CC=C3O)/C)O)C

InChI

InChI=1S/C25H33NO5/c1-4-11-26-24(30)18-13-16(3)22(19(14-27)23(18)25(26)31)21(29)10-9-15(2)12-17-7-5-6-8-20(17)28/h5-8,12,18-19,21,23,27-29H,4,9-11,13-14H2,1-3H3/b15-12+/t18-,19+,21-,23-/m1/s1