CAS 210108-87-5|2,5,14-Triacetoxy-3-benzoyloxy-8,15-dihydroxy-7-isobutyroyloxy-9-nicotinoylox

Introduction：Basic information about CAS 210108-87-5|2,5,14-Triacetoxy-3-benzoyloxy-8,15-dihydroxy-7-isobutyroyloxy-9-nicotinoylox, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name2,5,14-Triacetoxy-3-benzoyloxy-8,15-dihydroxy-7-isobutyroyloxy-9-nicotinoyloxyjatropha-6(17),11E-diene
CAS Number210108-87-5Molecular Weight807.879
Density1.3±0.1 g/cm3Boiling Point809.9±65.0 °C at 760 mmHg
Molecular FormulaC43H53NO14Melting Point/
MSDS/Flash Point443.6±34.3 °C

Names

Name(2R,3R,3aS,4R,6S,7S,8S,12S,13S,13aR,E)-3-(benzoyloxy)-7,13a-dihydroxy-6-(isobutyryloxy)-2,9,9,12-tetramethyl-5-methylene-8-(nicotinoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,13-triyl triacetate
SynonymMore Synonyms

BiologicalActivity

DescriptionJatrophane 3 is a kind of jatrophane diterpene polyester obtained from the highly irritant extract of whole fresh plants of E. peplus L. (Euphorbiaceae)[1].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
References

[1]. Hohmann J, et al. Jatrophane diterpenoids from Euphorbia peplus. Phytochemistry. 1999 Jul;51(5):673-7.  

Chemical & Physical Properties

Density1.3±0.1 g/cm3
Boiling Point809.9±65.0 °C at 760 mmHg
Molecular FormulaC43H53NO14
Molecular Weight807.879
Flash Point443.6±34.3 °C
Exact Mass807.346619
PSA211.15000
LogP6.34
Vapour Pressure0.0±3.0 mmHg at 25°C
Index of Refraction1.572
InChIKeyHCOFSOQJSKXVMH-SDPQPQNCSA-N
SMILESC=C1C(OC(=O)C(C)C)C(O)C(OC(=O)c2cccnc2)C(C)(C)C=CC(C)C(OC(C)=O)C2(O)CC(C)(OC(C)=O)C(OC(=O)c3ccccc3)C2C1OC(C)=O

Safety Information

Hazard CodesXi

Synonyms

3-Pyridinecarboxylic acid, (2R,3R,3aS,4R,6S,7S,8S,10E,12R,13R,13aR)-2,4,13-tris(acetyloxy)-3-(benzoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-7,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylene-6-(2-methyl-1-oxopropoxy)-1H-cyclopentacyclododecen-8-yl ester
(2R,3R,3aS,4R,6S,7S,8S,10E,12R,13R,13aR)-2,4,13-Triacetoxy-3-(benzoyloxy)-7,13a-dihydroxy-6-(isobutyryloxy)-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-8-yl nicotinate
(2R,3R,3aS,4R,6R,7S,8S,10Z,12S,13S,13aR)-2,4,13-Triacetoxy-3-(benzoyloxy)-7,13a-dihydroxy-6-(isobutyryloxy)-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-8-yl nicotinate
3-Pyridinecarboxylic acid, (2R,3R,3aS,4R,6R,7S,8S,10Z,12S,13S,13aR)-2,4,13-tris(acetyloxy)-3-(benzoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-7,13a-dihydroxy-2,9,9,12-tetramethyl-5-methylene-6-(2-methyl-1-oxopropoxy)-1H-cyclopentacyclododecen-8-yl ester
CAS 125288-25-7|2,4,6-Trimethoxyphenyl β-D-glucopyranoside
CAS 210108-89-7|2,5,7,14-Tetraacetoxy-3-benzoyloxy-8,15-dihydroxy-9-nicotinoyloxyjatropha-6(1
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