1-o-Acetyl-6-o-isobutyrylbritannilactone

cas: 1613152-34-3 — see every product listed under this CAS number, including other names

1-o-Acetyl-6-o-isobutyrylbritannilactone (CAS 1613152-34-3) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberNPC15234-10mg
cas1613152-34-3
size10mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

[(3aR,4S,7aR)-5-[(2S)-5-acetyloxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylpropanoate (CAS 1613152-34-3) is a chemical compound with the molecular formula C21H30O6 and a molecular weight of 378.5 g/mol. IUPAC name: [(3aR,4S,7aR)-5-[(2S)-5-acetyloxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylpropanoate. InChIKey: XHBHYMSLBWDFRZ-ZLKDORHNSA-N.

Identity
Molecular formulaC21H30O6
Molecular weight378.5 g/mol
IUPAC name[(3aR,4S,7aR)-5-[(2S)-5-acetyloxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylpropanoate
InChIKeyXHBHYMSLBWDFRZ-ZLKDORHNSA-N
SMILESCC1=C([C@H]([C@H]2[C@@H](C1)OC(=O)C2=C)OC(=O)C(C)C)[C@@H](C)CCCOC(=O)C

Computed by PubChem (NCBI)

Synonyms: 1-O-Acetyl-6-O-isobutyrylbritannilactone, orb1683963
Related forms of this compound
[(3aR,4R,7aR)-5-(5-acetyloxypentan-2-yl)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 2-methylpropanoate C21H30O6
Isomers (same molecular formula)
tributyl benzene-1,2,4-tricarboxylate C21H30O6
(8S,9R,10S,11R,13R,14R,17R)-9,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C21H30O6
(6R,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(1S,2S,5R,9S,11S,12S,13R)-5,6,11-trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one C21H30O6
(6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
(8R,9S,10R,11S,13S,14R,17R)-11,14,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one C21H30O6
(8S,9S,10R,11S,13S,14S,17R)-17-(2,2-dihydroxyacetyl)-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O6
2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde;hydrate C21H30O6
(1S,2S,5R,6R,9S,11S,12S,13R)-5,6,11-trihydroxy-6-(hydroxymethyl)-13-methyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-16-one C21H30O6

Also listed as

1–O–Acetyl–6–O–isobutyrylbritannilactone GLPBio CAS 1613152-34-3