ChemSpider 2D Image | (6alpha,7beta,8alpha,9beta,10alpha,11alpha,13alpha)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-en-11-yl acetate | C22H30O6

(6α,7β,8α,9β,10α,11α,13α)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-en-11-yl acetate

  • Molecular FormulaC22H30O6
  • Average mass390.470 Da
  • Monoisotopic mass390.204254 Da
  • ChemSpider ID57576788

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(6α,7β,8α,9β,10α,11α,13α)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-en-11-yl acetate [ACD/IUPAC Name]
(6α,7β,8α,9β,10α,11α,13α)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-en-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (6α,7β,8α,9β,10α,11α,13α)-6,7-dihydroxy-15-oxo-7,20-époxykaur-16-én-11-yle [French] [ACD/IUPAC Name]
77949-42-9 [RN]
Longikaurin E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 185.8±23.6 °C
Index of Refraction: 1.589
Molar Refractivity: 99.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.30
ACD/KOC (pH 5.5): 846.07
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.28
ACD/KOC (pH 7.4): 845.90
Polar Surface Area: 93 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 296.5±5.0 cm3

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