Products 210108-85-3

CAS 210108-85-3 appears in our catalog under these names: 2α,3Beta,5α,7Beta,15Beta-Pentaacetoxy-9α-nicotinoyloxyjatropha-6(17),11-dien-14-one, Jatrophane I. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 10mg, 50mg, Get quote.

2α,3Beta,5α,7Beta,15Beta-Pentaacetoxy-9α-nicotinoyloxyjatropha-6(17),11-dien-14-one
Biosynth
  • size: 25mg, 10mg, 50mg
  • Variants: 3
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Jatrophane I
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

2alpha,3beta,5alpha,7beta,15beta-pentaacetoxy-9alpha-nicotinoyloxyjatropha-6(17),11-dien-14-one is a natural product found in Euphorbia esula and Euphorbia peplus. It has a role as a metabolite.

Source: ChEBI

Identity
Molecular formulaC36H45NO13
Molecular weight699.7 g/mol
IUPAC name[(1R,2R,3aR,5R,6E,9R,11R,13R,13aS)-1,2,3a,11,13-pentaacetyloxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
InChIKeyMBIDOILZBVMYQI-ALCXGGQDSA-N
SMILESC[C@@H]1/C=C/C([C@@H](C[C@H](C(=C)[C@@H]([C@H]2[C@H]([C@](C[C@@]2(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C3=CN=CC=C3)(C)C

Computed by PubChem (NCBI)

Synonyms: Jatrophane I, Jatrophane 1