ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha)-3-{[(2E)-3-Phenyl-2-propenoyl]oxy}kaur-16-en-18-oic acid | C29H36O4

(3α,5β,8α,9β,10α)-3-{[(2E)-3-Phenyl-2-propenoyl]oxy}kaur-16-en-18-oic acid

  • Molecular FormulaC29H36O4
  • Average mass448.594 Da
  • Monoisotopic mass448.261353 Da
  • ChemSpider ID57256895
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3α,5β,8α,9β,10α)-3-{[(2E)-3-Phenyl-2-propenoyl]oxy}kaur-16-en-18-oic acid [ACD/IUPAC Name]
(3α,5β,8α,9β,10α)-3-{[(2E)-3-Phenyl-2-propenoyl]oxy}kaur-16-en-18-säure [German] [ACD/IUPAC Name]
Acide (3α,5β,8α,9β,10α)-3-{[(2E)-3-phényl-2-propenoyl]oxy}kaur-16-én-18-oïque [French] [ACD/IUPAC Name]
79406-10-3 [RN]
ent-3β-Cinnamoyloxykaur-16-en-19-oic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 587.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 190.6±23.6 °C
Index of Refraction: 1.590
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.69
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 8445.90
ACD/KOC (pH 5.5): 9319.23
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 144.22
ACD/KOC (pH 7.4): 159.13
Polar Surface Area: 64 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 379.0±5.0 cm3

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