ChemSpider 2D Image | (1beta,5beta,6beta,8alpha,9beta,10alpha,13alpha,14R)-1,6,7,14-Tetrahydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl acetate | C22H30O8

(1β,5β,6β,8α,9β,10α,13α,14R)-1,6,7,14-Tetrahydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl acetate

  • Molecular FormulaC22H30O8
  • Average mass422.469 Da
  • Monoisotopic mass422.194061 Da
  • ChemSpider ID23311641
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1β,5β,6β,8α,9β,10α,13α,14R)-1,6,7,14-Tetrahydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl acetate [ACD/IUPAC Name]
(1β,5β,6β,8α,9β,10α,13α,14R)-1,6,7,14-Tetrahydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1β,5β,6β,8α,9β,10α,13α,14R)-1,6,7,14-tétrahydroxy-15-oxo-7,20-époxykaur-16-én-18-yle [French] [ACD/IUPAC Name]
[304642-94-2] [RN]
304642-94-2 [RN]
MFCD20260377
xerophilusin G

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 641.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 223.6±25.0 °C
Index of Refraction: 1.624
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 2.64
ACD/KOC (pH 5.5): 69.71
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 69.69
Polar Surface Area: 134 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 291.7±5.0 cm3

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