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Home > Encyclopedia > 3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one

3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one

3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one structure

3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one 

structure
  • CAS No:

    244277-75-6

  • Formula:

    C34H43NO11

  • Chemical Name:

    3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one

  • 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

  • Categories:

    Natural Products  >  Terpenes

3,5,7,15-Tetraacetoxy-9-nicotinoyloxy-6(17),11-jatrophadien-14-one Basic Attributes

641.70500

641.283630

Characteristics

161.46000

5.11

1.2±0.1 g/cm3

669.2±55.0 °C at 760 mmHg

358.5±31.5 °C

1.540

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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