3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
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3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
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CAS No:
244277-75-6
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Formula:
C34H43NO11
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Chemical Name:
3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
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Synonyms:
3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one;0.1 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr;0.10 | Condition: Most Basic Temp: 25 °C Boiling Point (Predicted) Value: 669.2±;3-Pyridinecarboxylic acid (2S,3S,3aR,4R,6R,8R,10E,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-13-oxo-1H-cyclopentacyclododecen-8-yl esterMolecular Weight 641.71 pKa (Predicted) Value: 3.09±;55.0 °C | Condition: Press: 760 Torr Density (Predicted) Value: 1.23±;3-Pyridinecarboxylic acid (2S,3S,3aR,4R,6R,8R,10E,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-13-oxo-1H-cyclopentacyclododecen-8-yl esterMolecular Weight 641.71 pKa (Predicted) Value: 3.09±0.10 | Condition: Most Basic Temp: 25 °C Boiling Point (Predicted) Value: 669.2±55.0 °C | Condition: Press: 760 Torr Density (Predicted) Value: 1.23±0.1 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr
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CAS No:
3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one Basic Attributes
641.70500
641.283630
Computed Properties
Molecular Weight:641.7
XLogP3:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:641.28361119
Monoisotopic Mass:641.28361119
Topological Polar Surface Area:162
Heavy Atom Count:46
Complexity:1260
Defined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one
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