(3aS,4R,7aR)-2-cyclohexyl-4-(hydroxymethyl)-5-[(1R,4E)-4-[(4-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-6-(methoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-2-cyclohexyl-4-(hydroxymethyl)-5-[(1R,4E)-4-[(4-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-6-(methoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-2-cyclohexyl-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylene]heptyl]-4-(hydroxymethyl)-6-(methoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-2-cyclohexyl-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-6-(methoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-2-cyclohexyl-5-[(1R,4E)-1-hydroxy-4-[(4-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-6-(methoxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-2-cyclohexyl-5-[(E,1R)-1-hydroxy-5-(4-hydroxyphenyl)-4-propyl-pent-4-enyl]-6-(methoxymethyl)-4-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C31H43NO6 MolecularWeight: 525.67622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=CC=C(C=C1)O)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)C4CCCCC4)COC)O

Isomeric SMILES

CCC/C(=C\C1=CC=C(C=C1)O)/CC[C@H](C2=C(C[C@@H]3[C@H]([C@H]2CO)C(=O)N(C3=O)C4CCCCC4)COC)O

InChI

InChI=1S/C31H43NO6/c1-3-7-20(16-21-10-13-24(34)14-11-21)12-15-27(35)28-22(19-38-2)17-25-29(26(28)18-33)31(37)32(30(25)36)23-8-5-4-6-9-23/h10-11,13-14,16,23,25-27,29,33-35H,3-9,12,15,17-19H2,1-2H3/b20-16+/t25-,26+,27-,29-/m1/s1