(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-(2-hydroxyphenyl)-4-methyl-1-oxidanyl-pent-4-enyl]-6-methyl-2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(E,1R)-5-(2-hydroxyphenyl)-4-methyl-1-oxidanyl-pent-4-enyl]-6-methyl-2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methyl-pent-4-enyl]-4-(hydroxymethyl)-6-methyl-2-(2-thienylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-methyl-2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methylpent-4-enyl]-4-(hydroxymethyl)-6-methyl-2-(thiophen-2-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-1-hydroxy-5-(2-hydroxyphenyl)-4-methyl-pent-4-enyl]-6-methyl-4-methylol-2-(2-thenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(C1)C(=O)N(C2=O)CC3=CC=CS3)CO)C(CCC(=CC4=CC=CC=C4O)C)O

Isomeric SMILES

CC1=C([C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)CC3=CC=CS3)CO)[C@@H](CC/C(=C/C4=CC=CC=C4O)/C)O

InChI

InChI=1S/C27H31NO5S/c1-16(12-18-6-3-4-8-22(18)30)9-10-23(31)24-17(2)13-20-25(21(24)15-29)27(33)28(26(20)32)14-19-7-5-11-34-19/h3-8,11-12,20-21,23,25,29-31H,9-10,13-15H2,1-2H3/b16-12+/t20-,21+,23-,25-/m1/s1