ChemSpider 2D Image | (1R,3aR,4S,6aR)-1-(3,5-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan | C23H28O7

(1R,3aR,4S,6aR)-1-(3,5-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan

  • Molecular FormulaC23H28O7
  • Average mass416.464 Da
  • Monoisotopic mass416.183502 Da
  • ChemSpider ID24701089

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,3aR,4S,6aR)-1-(3,5-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan [German] [ACD/IUPAC Name]
(1R,3aR,4S,6aR)-1-(3,5-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan [ACD/IUPAC Name]
(1R,3aR,4S,6aR)-1-(3,5-Diméthoxyphényl)-4-(3,4,5-triméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furane [French] [ACD/IUPAC Name]
1H,3H-Furo[3,4-c]furan, 1-(3,5-dimethoxyphenyl)tetrahydro-4-(3,4,5-trimethoxyphenyl)-, (1R,3aR,4S,6aR)- [ACD/Index Name]
(+)-epimagnolin B
(3R,3aR,6S,6aR)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
1134188-26-3 [RN]
EPIMAGNOLIN B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL480759/
MFCD29904531

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

Density: 1.2±0.1 g/cm3
Boiling Point: 548.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 220.9±30.0 °C
Index of Refraction: 1.542
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 184.34
ACD/KOC (pH 5.5): 1456.61
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 184.34
ACD/KOC (pH 7.4): 1456.61
Polar Surface Area: 65 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 353.4±3.0 cm3

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