(3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[[5-(hydroxymethyl)furan-2-yl]methylidene]-1-oxidanyl-hexyl]-2-methyl-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-4-(hydroxymethyl)-5-[(1R,4E)-4-[[5-(hydroxymethyl)furan-2-yl]methylidene]-1-oxidanyl-hexyl]-2-methyl-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[[5-(hydroxymethyl)-2-furyl]methylene]hexyl]-4-(hydroxymethyl)-6-isopropyl-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[[5-(hydroxymethyl)-2-furanyl]methylidene]hexyl]-4-(hydroxymethyl)-2-methyl-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-5-[(1R,4E)-1-hydroxy-4-[[5-(hydroxymethyl)furan-2-yl]methylidene]hexyl]-4-(hydroxymethyl)-2-methyl-6-propan-2-yl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-5-[(E,1R)-4-ethyl-1-hydroxy-5-(5-methylol-2-furyl)pent-4-enyl]-6-isopropyl-2-methyl-4-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C25H35NO6 MolecularWeight: 445.5485

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=C(O1)CO)CCC(C2=C(CC3C(C2CO)C(=O)N(C3=O)C)C(C)C)O

Isomeric SMILES

CC/C(=C\C1=CC=C(O1)CO)/CC[C@H](C2=C(C[C@@H]3[C@H]([C@H]2CO)C(=O)N(C3=O)C)C(C)C)O

InChI

InChI=1S/C25H35NO6/c1-5-15(10-16-7-8-17(12-27)32-16)6-9-21(29)22-18(14(2)3)11-19-23(20(22)13-28)25(31)26(4)24(19)30/h7-8,10,14,19-21,23,27-29H,5-6,9,11-13H2,1-4H3/b15-10+/t19-,20+,21-,23-/m1/s1