ChemSpider 2D Image | (2E)-1-[(5aR,6R,9S,9aS)-3,6-Dihydroxy-1-methoxy-6-methyl-9-propyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-4-yl]-3-phenyl-2-propen-1-one | C26H30O5

(2E)-1-[(5aR,6R,9S,9aS)-3,6-Dihydroxy-1-methoxy-6-methyl-9-propyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-4-yl]-3-phenyl-2-propen-1-one

  • Molecular FormulaC26H30O5
  • Average mass422.513 Da
  • Monoisotopic mass422.209320 Da
  • ChemSpider ID24845955

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-1-[(5aR,6R,9S,9aS)-3,6-Dihydroxy-1-methoxy-6-methyl-9-propyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-4-yl]-3-phenyl-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[(5aR,6R,9S,9aS)-3,6-Dihydroxy-1-methoxy-6-methyl-9-propyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-4-yl]-3-phenyl-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[(5aR,6R,9S,9aS)-3,6-Dihydroxy-1-méthoxy-6-méthyl-9-propyl-5a,6,7,8,9,9a-hexahydrodibenzo[b,d]furan-4-yl]-3-phényl-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[(5aR,6R,9S,9aS)-5a,6,7,8,9,9a-hexahydro-3,6-dihydroxy-1-methoxy-6-methyl-9-propyl-4-dibenzofuranyl]-3-phenyl-, (2E)- [ACD/Index Name]
(-)-Linderol A
linderol A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 206.0±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 121.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7433.87
ACD/KOC (pH 5.5): 20312.80
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 1855.04
ACD/KOC (pH 7.4): 5068.84
Polar Surface Area: 76 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 353.9±3.0 cm3

Click to predict properties on the Chemicalize site


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