methyl (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(4-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-1,3-bis(oxidanylidene)-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylate

Systemtic Name: methyl (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(4-hydroxyphenyl)methylidene]-1-oxidanyl-hexyl]-1,3-bis(oxidanylidene)-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Openeye Name: methyl (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylene]hexyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylate CAS Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylidene]hexyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylidene]hexyl]-4-(hydroxymethyl)-1,3-dioxo-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-4-ethyl-1-hydroxy-5-(4-hydroxyphenyl)pent-4-enyl]-1,3-diketo-4-methylol-6-propyl-3a,4,7,7a-tetrahydroisoindole-2-carboxylic acid methyl ester Formula: C27H35NO7 MolecularWeight: 485.5693

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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)CC)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)/CC)O

InChI

InChI=1S/C27H35NO7/c1-4-6-18-14-20-24(26(33)28(25(20)32)27(34)35-3)21(15-29)23(18)22(31)12-9-16(5-2)13-17-7-10-19(30)11-8-17/h7-8,10-11,13,20-22,24,29-31H,4-6,9,12,14-15H2,1-3H3/b16-13+/t20-,21+,22-,24-/m1/s1