ChemSpider 2D Image | (1alpha,2alpha,3alpha,7alpha,13alpha)-2,7-Diacetoxy-8-hydroxy-11,14-dioxopimar-15-ene-1,3-diyl dibenzoate | C38H42O11

(1α,2α,3α,7α,13α)-2,7-Diacetoxy-8-hydroxy-11,14-dioxopimar-15-ene-1,3-diyl dibenzoate

  • Molecular FormulaC38H42O11
  • Average mass674.734 Da
  • Monoisotopic mass674.272705 Da
  • ChemSpider ID8614913

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1α,2α,3α,7α,13α)-2,7-Diacetoxy-8-hydroxy-11,14-dioxopimar-15-en-1,3-diyl-dibenzoat [German] [ACD/IUPAC Name]
(1α,2α,3α,7α,13α)-2,7-Diacetoxy-8-hydroxy-11,14-dioxopimar-15-ene-1,3-diyl dibenzoate [ACD/IUPAC Name]
(2R,4aR,4bS,5R,6S,7S,8aS,10R,10aR)-6,10-Bis(acetyloxy)-5,7-bis(benzoyloxy)-2-ethenyldodecahydro-10a-hydroxy-2,4b,8,8-tetramethyl-1,4-phenanthrenedione
1,4-Phenanthrenedione, 6,10-bis(acetyloxy)-5,7-bis(benzoyloxy)-2-ethenyldodecahydro-10a-hydroxy-2,4b,8,8-tetramethyl-, (2R,4aR,4bS,5R,6S,7S,8aS,10R,10aR)- [ACD/Index Name]
237417-08-2 [RN]
Dibenzoate de (1α,2α,3α,7α,13α)-2,7-diacétoxy-8-hydroxy-11,14-dioxopimar-15-ène-1,3-diyle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL447412/
ORTHOSIPHONONE A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 733.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 221.0±26.4 °C
Index of Refraction: 1.590
Molar Refractivity: 174.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 6.19
ACD/BCF (pH 5.5): 29948.80
ACD/KOC (pH 5.5): 55689.87
ACD/LogD (pH 7.4): 6.19
ACD/BCF (pH 7.4): 29936.57
ACD/KOC (pH 7.4): 55667.13
Polar Surface Area: 160 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 517.3±5.0 cm3

Click to predict properties on the Chemicalize site


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