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

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[(3-hydroxyphenyl)methylidene]-1-oxidanyl-heptyl]-6-(methoxymethyl)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylene]heptyl]-4-(hydroxymethyl)-6-(methoxymethyl)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-6-(methoxymethyl)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[(3-hydroxyphenyl)methylidene]heptyl]-4-(hydroxymethyl)-6-(methoxymethyl)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(3-hydroxyphenyl)-4-propyl-pent-4-enyl]-6-(methoxymethyl)-2-methyl-4-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C26H35NO6 MolecularWeight: 457.5592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO6/c1-4-6-16(11-17-7-5-8-19(29)12-17)9-10-22(30)23-18(15-33-3)13-20-24(21(23)14-28)26(32)27(2)25(20)31/h5,7-8,11-12,20-22,24,28-30H,4,6,9-10,13-15H2,1-3H3/b16-11+/t20-,21+,22-,24-/m1/s1