ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,13alpha)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid | C29H36O6

(3α,5β,8α,9β,10α,13α)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid

  • Molecular FormulaC29H36O6
  • Average mass480.592 Da
  • Monoisotopic mass480.251190 Da
  • ChemSpider ID108341261

  • 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,13α)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-oic acid [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,13α)-9,17-Dihydroxy-3-{[(2E)-3-phenyl-2-propenoyl]oxy}kaur-15-en-18-säure [German] [ACD/IUPAC Name]
Acide (3α,5β,8α,9β,10α,13α)-9,17-dihydroxy-3-{[(2E)-3-phényl-2-propenoyl]oxy}kaur-15-én-18-oïque [French] [ACD/IUPAC Name]
(1S,4S,5S,6R,9R,10R,13R)-10-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-6-[(E)-3-phenylprop-2-enoyl]oxytetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
2186648-60-0 [RN]
3??-Cinnamoyloxy-9??,17-dihydroxy-ent-kaur-15-en-19-oic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 217.7±25.0 °C
Index of Refraction: 1.625
Molar Refractivity: 131.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 136.38
ACD/KOC (pH 5.5): 438.74
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 8.16
Polar Surface Area: 104 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 371.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement