2,5,7,14-Tetraacetoxy-3-benzoyloxy-8,15-dihydroxy-9-nicotinoyloxyjatropha-6(17),11E-diene

cas: 210108-89-7 — see every product listed under this CAS number, including other names

2,5,7,14-Tetraacetoxy-3-benzoyloxy-8,15-dihydroxy-9-nicotinoyloxyjatropha-6(17),11E-diene (CAS 210108-89-7) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberKIA10889-10mg
cas210108-89-7
size10mg
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properties

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

[(1R,2R,3aR,4S,5S,6E,9S,10S,11S,13R,13aS)-2,4,11,13-tetraacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate (CAS 210108-89-7) is a chemical compound with the molecular formula C41H49NO14 and a molecular weight of 779.8 g/mol. IUPAC name: [(1R,2R,3aR,4S,5S,6E,9S,10S,11S,13R,13aS)-2,4,11,13-tetraacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate. InChIKey: GLYDSECXZWCLMS-RWMROPJHSA-N.

Identity
Molecular formulaC41H49NO14
Molecular weight779.8 g/mol
IUPAC name[(1R,2R,3aR,4S,5S,6E,9S,10S,11S,13R,13aS)-2,4,11,13-tetraacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
InChIKeyGLYDSECXZWCLMS-RWMROPJHSA-N
SMILESC[C@H]1/C=C/C([C@@H]([C@@H]([C@H](C(=C)[C@@H]([C@H]2[C@H]([C@](C[C@@]2([C@H]1OC(=O)C)O)(C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OC(=O)C)O)OC(=O)C4=CN=CC=C4)(C)C

Computed by PubChem (NCBI)

Synonyms: Jatrophane 5, orb1683799
Isomers (same molecular formula)
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(ethoxycarbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C41H49NO14

Also listed as

Jatrophane 5 MedChemExpress CAS 210108-89-7