ChemSpider 2D Image | (3aR,14aR)-6,7,8-Trimethoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yl acetate | C24H24O9

(3aR,14aR)-6,7,8-Trimethoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yl acetate

  • Molecular FormulaC24H24O9
  • Average mass456.442 Da
  • Monoisotopic mass456.142029 Da
  • ChemSpider ID23225176

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3aR,14aR)-6,7,8-Trimethoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yl acetate [ACD/IUPAC Name]
(3aR,14aR)-6,7,8-Trimethoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3aR,14aR)-6,7,8-triméthoxy-3-oxo-1,3,3a,4,14,14a-hexahydrobenzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-14-yle [French] [ACD/IUPAC Name]
Benzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-one, 14-(acetyloxy)-3a,4,14,14a-tetrahydro-6,7,8-trimethoxy-, (3aR,14aR)- [ACD/Index Name]
6,7,8-trimethoxy-3-oxo-(3aR,14aR)-1,3,3a,4,14,14a-hexahydrobenzo[3',4']furo[4'',3'':6',7']cycloocta[4,5]benzo[d][1,3]dioxol-14-yl acetate((±)-episteganacin)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 279.4±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.51
ACD/KOC (pH 5.5): 448.04
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.51
ACD/KOC (pH 7.4): 448.04
Polar Surface Area: 99 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 324.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement