Products 126005-94-5

CAS 126005-94-5 is the registry number for 28-Deoxonimbolide. Offered by: Biosynth, MedChemExpress. Available pack sizes: 50mg, 5mg, 10mg, 25mg, Get quote.

28-Deoxonimbolide
Biosynth, MedChemExpress
  • size: 50mg, 5mg, 10mg, 25mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

28-deoxonimbolide is a limonoid isolated from Azadirachta indica. It has a role as an antineoplastic agent and a plant metabolite. It is a member of furans, a methyl ester, a cyclic terpene ketone, an organic heteropentacyclic compound, a limonoid and an enone.

Source: ChEBI

Identity
Molecular formulaC27H32O6
Molecular weight452.5 g/mol
IUPAC namemethyl 2-[(1R,2S,4R,6R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate
InChIKeyCWGBIWRWBCYASK-LMHNVORZSA-N
SMILESCC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@H]6[C@H]4OC[C@@]6(C=CC5=O)C)C)CC(=O)OC)C

Computed by PubChem (NCBI)

Synonyms: 28-Deoxonimbolide, nimbolide, 28-deoxo-, orb1683701
Isomers (same molecular formula)
methyl 4-[(1R,2R,3aS,8bS)-2-acetyloxy-1-[(E)-4-methyl-3-oxooct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate C27H32O6
(2S)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one C27H32O6
2-[4-[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate C27H32O6
(3R,4aR,5R,6R,8aR)-6-(benzoyloxymethyl)-5-[2-(furan-3-yl)ethyl]-3-hydroxy-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid C27H32O6
(1R,2R,7S,10R)-7-hydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-diene-5,16-dione C27H32O6
[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] benzoate C27H32O6