ChemSpider 2D Image | (1beta,6alpha,13alpha)-1,6,7-Trihydroxy-7,20-epoxykaur-16-en-15-one | C20H28O5

(1β,6α,13α)-1,6,7-Trihydroxy-7,20-epoxykaur-16-en-15-one

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID82964302

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1β,6α,13α)-1,6,7-Trihydroxy-7,20-epoxykaur-16-en-15-on [German] [ACD/IUPAC Name]
(1β,6α,13α)-1,6,7-Trihydroxy-7,20-epoxykaur-16-en-15-one [ACD/IUPAC Name]
(1β,6α,13α)-1,6,7-Trihydroxy-7,20-époxykaur-16-én-15-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.9±6.0 kJ/mol
Flash Point: 195.0±23.6 °C
Index of Refraction: 1.616
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.76
ACD/KOC (pH 5.5): 336.13
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.76
ACD/KOC (pH 7.4): 336.08
Polar Surface Area: 87 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 258.6±5.0 cm3

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