ChemSpider 2D Image | (5beta,6beta,8alpha,9beta,10alpha,13alpha,16beta)-6,9-Dihydroxy-15-oxokauran-18-oic acid | C20H30O5

(5β,6β,8α,9β,10α,13α,16β)-6,9-Dihydroxy-15-oxokauran-18-oic acid

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID30772634
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(5β,6β,8α,9β,10α,13α,16β)-6,9-Dihydroxy-15-oxokauran-18-oic acid [ACD/IUPAC Name]
(5β,6β,8α,9β,10α,13α,16β)-6,9-Dihydroxy-15-oxokauran-18-säure [German] [ACD/IUPAC Name]
1401419-88-2 [RN]
Acide (5β,6β,8α,9β,10α,13α,16β)-6,9-dihydroxy-15-oxokauran-18-oïque [French] [ACD/IUPAC Name]
[81264-00-8] [RN]
81264-00-8 [RN]
ent-6,9-Dihydroxy-15-oxo-16-kauren-19-oic acid
MFCD20274649
Pterisolic acid D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 293.8±26.6 °C
Index of Refraction: 1.585
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.69
ACD/KOC (pH 5.5): 22.82
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 272.4±5.0 cm3

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