11beta,13-Dihydrolactucin structure

11beta,13-Dihydrolactucin

(3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

Also Known As: 11beta,13-Dihydrolactucin|11,13-dihydrolactucin|11|A,13-Dihydrolactucin|11?,13-dihydrolactucin|11(S),13-Dihydrolactucin|11I(2),13-dihydrolactucin|FS-8500|J1.583.453F|(3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione|(3aR)-3,3abeta,4,5,9abeta,9balpha-Hexahydro-4beta-hydroxy-9-(hydroxymethyl)-3beta,6-dimethylazuleno[4,5-b]furan-2,7-dione|(3S,3aR)-3,3abeta,4,5,9abeta,9balpha-Hexahydro-4beta-hydroxy-9-(hydroxymethyl)-3,6-dimethylazuleno[4,5-b]furan-2,7-dione|(3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-2H,3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2,7-dione|(3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno(4,5-b)furan-2,7-dione

CAS: 83117-63-9
Molecular Formula C15H18O5
Molecular Weight 278.11542 g/mol
LogP 0.3628
Topological Polar Surface Area 83.83 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 1
Exact Mass 278.11542
Monoisotopic Mass 278.11542
Heavy Atoms 20
Complexity 544.4671

Chemical Identifiers

CAS Number 83117-63-9
SMILES C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C)O

Product Overview

11beta,13-Dihydrolactucin (CAS 83117-63-9), with molecular formula C15H18O5 and molecular weight 278.11542 g/mol. IUPAC: (3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione.

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