ChemSpider 2D Image | (5beta,8alpha,9beta,10alpha,13alpha)-19-Acetoxy-17-(isobutyryloxy)kauran-18-oic acid | C26H40O6

(5β,8α,9β,10α,13α)-19-Acetoxy-17-(isobutyryloxy)kauran-18-oic acid

  • Molecular FormulaC26H40O6
  • Average mass448.592 Da
  • Monoisotopic mass448.282501 Da
  • ChemSpider ID84487489

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,8α,9β,10α,13α)-19-Acetoxy-17-(isobutyryloxy)kauran-18-oic acid [ACD/IUPAC Name]
(5β,8α,9β,10α,13α)-19-Acetoxy-17-(isobutyryloxy)kauran-18-säure [German] [ACD/IUPAC Name]
Acide (5β,8α,9β,10α,13α)-19-acétoxy-17-(isobutyryloxy)kauran-18-oïque [French] [ACD/IUPAC Name]
(16R)-19-Acetoxy-17-(isobutyryloxy)kaurane-18-oic acid
(1S,4S,5R,9S,10R,13R,14R)-5-(acetyloxymethyl)-9-methyl-14-(2-methylpropanoyloxymethyl)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
1201591-00-5 [RN]
Compound NP-023115

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 174.1±13.9 °C
Index of Refraction: 1.535
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 780.02
ACD/KOC (pH 5.5): 1690.44
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 13.34
ACD/KOC (pH 7.4): 28.91
Polar Surface Area: 90 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 383.8±5.0 cm3

Click to predict properties on the Chemicalize site


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