Products 109770-86-7

CAS 109770-86-7 appears in our catalog under these names: ((3aR,4R,6Z,10Z,11aR)-6,10-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (E)-4-acetyloxy-2-(hydroxyme thyl)but-2-enoate, 8β-(4-Acetoxy-5-hydroxytigloyloxy)costunolide. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 10mg, 50mg, Get quote.

((3aR,4R,6Z,10Z,11aR)-6,10-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (E)-4-acetyloxy-2-(hydroxyme thyl)but-2-enoate
Biosynth
  • size: 25mg, 10mg, 50mg
  • Variants: 3
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8β-(4-Acetoxy-5-hydroxytigloyloxy)costunolide
MedChemExpress
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  • Variants: 1
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Structural formula: {0} (CAS {1})

(6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-acetyloxy-2-(hydroxymethyl)but-2-enoate (CAS 109770-86-7) is a chemical compound with the molecular formula C22H28O7 and a molecular weight of 404.5 g/mol. IUPAC name: (6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-acetyloxy-2-(hydroxymethyl)but-2-enoate. InChIKey: CUJJANFZVGSCSV-UHFFFAOYSA-N.

Identity
Molecular formulaC22H28O7
Molecular weight404.5 g/mol
IUPAC name(6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-acetyloxy-2-(hydroxymethyl)but-2-enoate
InChIKeyCUJJANFZVGSCSV-UHFFFAOYSA-N
SMILESCC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCOC(=O)C)CO)C(=C)C(=O)O2

Computed by PubChem (NCBI)

Synonyms: 8beta-(4-Acetoxy-5-hydroxytigloyloxy)costunolide
Isomers (same molecular formula)
(2R,3R)-2-[(3,4-dimethoxyphenyl)methyl]-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butane-1,4-diol C22H28O7
2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene C22H28O7
[(3aR,4R,6E,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate C22H28O7
[(1S,8S,11R,12S,13R,17S,18S,19R)-13,17-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl] acetate C22H28O7
(9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-acetyloxy-2-methylbut-2-enoate C22H28O7
(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hydrate C22H28O7
[(3aR,4R,6E,10E,11aR)-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate C22H28O7
[(1S,1'S,3'R,5S,6S,7S,9S)-3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate C22H28O7
5-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)heptan-3-one C22H28O7
(S)-(3,4-dimethoxyphenyl)-[(3S,4R,5S)-5-(3,4-dimethoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methanol C22H28O7
(9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-hydroxy-2-methylbut-2-enoate C22H28O7