(3S,3aR,4S,9aS,9bR)-3,3a,4,5,9a,9b-Hexahydro-4-hydroxy-9-(hydroxymethyl)-3,6-dimethylazuleno[4,5-b]furan-2,7-dione, HPLC≥95%

cas: 83117-63-9 — see every product listed under this CAS number, including other names

(3S,3aR,4S,9aS,9bR)-3,3a,4,5,9a,9b-Hexahydro-4-hydroxy-9-(hydroxymethyl)-3,6-dimethylazuleno[4,5-b]furan-2,7-dione, HPLC≥95% (CAS 83117-63-9) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

• 2D
• 3D

11beta,13-dihydrolactucin is a sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of lactucin. Found in chicory. It has a role as a plant metabolite. It is a primary alcohol, a secondary alcohol, a cyclic terpene ketone, a sesquiterpene lactone, an azulenofuran and an enone. It is functionally related to a lactucin.

Source: ChEBI

Identity

Molecular formula	C15H18O5
Molecular weight	278.30 g/mol
IUPAC name	(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
InChIKey	ZHZZKRDEPZMPLJ-WLVQVHLUSA-N
SMILES	C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)CO)C)O

Computed by PubChem (NCBI)

Synonyms: 11beta,13-Dihydrolactucin, 11,13-dihydrolactucin, 11|A,13-Dihydrolactucin, 11I(2),13-dihydrolactucin, orb1992446

Isomers (same molecular formula)

5-(3,4,5-trimethoxyphenyl)cyclohexane-1,3-dione C₁₅H₁₈O₅

ethyl 5-(4-acetyloxyphenyl)-5-oxopentanoate C₁₅H₁₈O₅

methyl 2-(2-ethoxy-4-formyl-6-prop-2-enylphenoxy)acetate C₁₅H₁₈O₅

6-[4-(1-carboxyethyl)phenyl]-5-oxohexanoic acid C₁₅H₁₈O₅

(3aS,4S,6S,6aS)-2,2-dimethyl-4-phenylmethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde C₁₅H₁₈O₅

1-ethoxycarbonyl-3-phenylmethoxycyclobutane-1-carboxylic acid C₁₅H₁₈O₅

6-[4-(1-carboxyethyl)phenyl]-6-oxohexanoic acid C₁₅H₁₈O₅

(3aR,6R,6aR)-2,2-dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one C₁₅H₁₈O₅

diethyl 2-(2-phenylacetyl)propanedioate C₁₅H₁₈O₅

(4aS,8aS,9S,9aR)-9,9a-dihydroxy-3,5,8a-trimethyl-4,4a,8,9-tetrahydrobenzo[f][1]benzofuran-2,7-dione C₁₅H₁₈O₅

6-[(2R)-2,3-dihydroxy-3-methylbutyl]-7-methoxychromen-2-one C₁₅H₁₈O₅

2-(5-acetyloxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid C₁₅H₁₈O₅