Isodonal

cas: 16964-56-0 — see every product listed under this CAS number, including other names

Isodonal (CAS 16964-56-0) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, 5 mg, 1 mg. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberRAA96456-5mg
cas16964-56-0
size5mg
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MedChemExpress 5 mg 6115.40 Pln
MedChemExpress 1 mg 2567.39 Pln

properties

categoryNatural Products
purityNo data
delivery time1-2 weeks
Structural formula: {0} (CAS {1})

[(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 (CAS 16964-56-0) is a chemical compound with the molecular formula C22H28O7 and a molecular weight of 404.5 g/mol. IUPAC name: [(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. InChIKey: ORDKVFHKMGUXSQ-MVVUPFSZSA-N.

Identity
Molecular formulaC22H28O7
Molecular weight404.5 g/mol
IUPAC name[(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
InChIKeyORDKVFHKMGUXSQ-MVVUPFSZSA-N
SMILESCC(=O)O[C@H]1CCC([C@H]([C@@]12COC(=O)[C@]34[C@H]2[C@H](C[C@H](C3)C(=C)C4=O)O)C=O)(C)C

Computed by PubChem (NCBI)

Synonyms: Isodonal, orb1984189
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
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
(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 C22H28O7
[(1S,2S,3S,5S,8R,9R,11S,13R,14S,15R)-13,14-dihydroxy-16,16-dimethyl-6-methylidene-7-oxo-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-3-yl] acetate C22H28O7

Also listed as

Isodonal, ≥98%, ≥98% Chemat CAS 16964-56-0