ChemSpider 2D Image | (11alpha,13alpha,14alpha)-5,6,11-Trihydroxy-14-methoxy-6,20-epoxypimara-8,15-dien-7-one | C21H30O6

(11α,13α,14α)-5,6,11-Trihydroxy-14-methoxy-6,20-epoxypimara-8,15-dien-7-one

  • Molecular FormulaC21H30O6
  • Average mass378.459 Da
  • Monoisotopic mass378.204254 Da
  • ChemSpider ID35516821

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(11α,13α,14α)-5,6,11-Trihydroxy-14-methoxy-6,20-epoxypimara-8,15-dien-7-on [German] [ACD/IUPAC Name]
(11α,13α,14α)-5,6,11-Trihydroxy-14-methoxy-6,20-epoxypimara-8,15-dien-7-one [ACD/IUPAC Name]
(11α,13α,14α)-5,6,11-Trihydroxy-14-méthoxy-6,20-époxypimara-8,15-dién-7-one [French] [ACD/IUPAC Name]
9H-10,4a-(Epoxymethano)phenanthren-9-one, 7-ethenyl-1,2,3,4,5,6,7,8,10,10a-decahydro-5,10,10a-trihydroxy-8-methoxy-1,1,7-trimethyl-, (4aR,5R,7R,8S,10aR)- [ACD/Index 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: 548.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.2±6.0 kJ/mol
Flash Point: 189.9±23.6 °C
Index of Refraction: 1.592
Molar Refractivity: 98.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.91
ACD/KOC (pH 5.5): 815.03
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.49
ACD/KOC (pH 7.4): 810.82
Polar Surface Area: 96 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 291.3±5.0 cm3

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