ChemSpider 2D Image | (9R)-16,17-Dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,15-triyl triacetate | C27H32O8

(9R)-16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,15-triyl triacetate

  • Molecular FormulaC27H32O8
  • Average mass484.538 Da
  • Monoisotopic mass484.209717 Da
  • ChemSpider ID28425542

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9R)-16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaen-3,9,15-triyl-triacetat [German] [ACD/IUPAC Name]
(9R)-16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,15-triyl triacetate [ACD/IUPAC Name]
Triacétate de (9R)-16,17-diméthoxytricyclo[12.3.1.12,6]nonadéca-1(18),2(19),3,5,14,16-hexaène-3,9,15-triyle [French] [ACD/IUPAC Name]
Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-, triacetate, (9R)- [ACD/Index Name]
[(9R)-3,15-diacetyloxy-16,17-dimethoxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl] acetate
34509-52-9 [RN]
Myricanol triacetate
Myricanol-triacetat
Tricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-, triacetate, (-)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 598.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 253.9±30.2 °C
Index of Refraction: 1.562
Molar Refractivity: 127.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2009.40
ACD/KOC (pH 5.5): 8052.50
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2009.40
ACD/KOC (pH 7.4): 8052.50
Polar Surface Area: 97 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 394.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement