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

Systemtic Name: (3aS,4R,7aR)-6-ethyl-4-(hydroxymethyl)-5-[(Z,1R)-5-(4-hydroxyphenyl)-1-oxidanyl-4-phenyl-pent-4-enyl]-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-6-ethyl-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenyl-pent-4-enyl]-4-(hydroxymethyl)-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-6-ethyl-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-6-ethyl-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-6-ethyl-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenyl-pent-4-enyl]-4-methylol-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C31H37NO5 MolecularWeight: 503.62918

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2CC(=C(C(C2C1=O)CO)C(CCC(=CC3=CC=C(C=C3)O)C4=CC=CC=C4)O)CC

Isomeric SMILES

CCCN1C(=O)[C@@H]2CC(=C([C@@H]([C@@H]2C1=O)CO)[C@@H](CC/C(=C/C3=CC=C(C=C3)O)/C4=CC=CC=C4)O)CC

InChI

InChI=1S/C31H37NO5/c1-3-16-32-30(36)25-18-21(4-2)28(26(19-33)29(25)31(32)37)27(35)15-12-23(22-8-6-5-7-9-22)17-20-10-13-24(34)14-11-20/h5-11,13-14,17,25-27,29,33-35H,3-4,12,15-16,18-19H2,1-2H3/b23-17-/t25-,26+,27-,29-/m1/s1