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

Systemtic Name: methyl (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(Z,1R)-5-(4-hydroxyphenyl)-1-oxidanyl-4-phenyl-pent-4-enyl]-1,3-bis(oxidanylidene)-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Openeye Name: methyl (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenyl-pent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylate CAS Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenylpent-4-enyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Traditional Name: (3aS,4R,7aR)-5-[(Z,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-phenyl-pent-4-enyl]-1,3-diketo-4-methylol-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylic acid methyl ester Formula: C31H35NO7 MolecularWeight: 533.6121

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2C(C1)C(=O)N(C2=O)C(=O)OC)CO)C(CCC(=CC3=CC=C(C=C3)O)C4=CC=CC=C4)O

Isomeric SMILES

CCCC1=C([C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)C(=O)OC)CO)[C@@H](CC/C(=C/C3=CC=C(C=C3)O)/C4=CC=CC=C4)O

InChI

InChI=1S/C31H35NO7/c1-3-7-22-17-24-28(30(37)32(29(24)36)31(38)39-2)25(18-33)27(22)26(35)15-12-21(20-8-5-4-6-9-20)16-19-10-13-23(34)14-11-19/h4-6,8-11,13-14,16,24-26,28,33-35H,3,7,12,15,17-18H2,1-2H3/b21-16-/t24-,25+,26-,28-/m1/s1