ChemSpider 2D Image | (1alpha,6alpha,7alpha,8alpha,13alpha,14R,20R)-1,6,7,14-Tetrahydroxy-20-methoxy-7,20-epoxykaur-16-en-15-one | C21H30O7

(1α,6α,7α,8α,13α,14R,20R)-1,6,7,14-Tetrahydroxy-20-methoxy-7,20-epoxykaur-16-en-15-one

  • Molecular FormulaC21H30O7
  • Average mass394.459 Da
  • Monoisotopic mass394.199158 Da
  • ChemSpider ID68025127

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1α,6α,7α,8α,13α,14R,20R)-1,6,7,14-Tetrahydroxy-20-methoxy-7,20-epoxykaur-16-en-15-on [German] [ACD/IUPAC Name]
(1α,6α,7α,8α,13α,14R,20R)-1,6,7,14-Tetrahydroxy-20-methoxy-7,20-epoxykaur-16-en-15-one [ACD/IUPAC Name]
(1α,6α,7α,8α,13α,14R,20R)-1,6,7,14-Tétrahydroxy-20-méthoxy-7,20-époxykaur-16-én-15-one [French] [ACD/IUPAC Name]
155977-87-0 [RN]
Rabdoternin F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 215.9±25.0 °C
Index of Refraction: 1.621
Molar Refractivity: 98.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.88
ACD/KOC (pH 5.5): 263.09
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.86
ACD/KOC (pH 7.4): 262.87
Polar Surface Area: 116 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 65.3±5.0 dyne/cm
Molar Volume: 279.3±5.0 cm3

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