Found 8 results

Search term: BNFUGVFXZSYVMT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4R)-7-[(1E)-2-{(1S,6R,7R,8R)-8-[(1R,2E)-1-Hydroxy-2-methyl-2-buten-1-yl]-2,4,6,8-tetramethylbicyclo[4.2.0]octa-2,4-dien-7-yl}-1-propen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione | C29H40O4

(4R)-7-[(1E)-2-{(1S,6R,7R,8R)-8-[(1R,2E)-1-Hydroxy-2-methyl-2-buten-1-yl]-2,4,6,8-tetramethylbicyclo[4.2.0]octa-2,4-dien-7-yl}-1-propen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione

  • Molecular FormulaC29H40O4
  • Average mass452.625 Da
  • Monoisotopic mass452.292664 Da
  • ChemSpider ID74114044

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 9 defined stereocentres

More details:

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

(4R)-7-[(1E)-2-{(1S,6R,7R,8R)-8-[(1R,2E)-1-Hydroxy-2-methyl-2-buten-1-yl]-2,4,6,8-tetramethylbicyclo[4.2.0]octa-2,4-dien-7-yl}-1-propen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3,5-dion [German] [ACD/IUPAC Name]
(4R)-7-[(1E)-2-{(1S,6R,7R,8R)-8-[(1R,2E)-1-Hydroxy-2-methyl-2-buten-1-yl]-2,4,6,8-tetramethylbicyclo[4.2.0]octa-2,4-dien-7-yl}-1-propen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione [ACD/IUPAC Name]
(4R)-7-[(1E)-2-{(1S,6R,7R,8R)-8-[(1R,2E)-1-Hydroxy-2-méthyl-2-butén-1-yl]-2,4,6,8-tétraméthylbicyclo[4.2.0]octa-2,4-dién-7-yl}-1-propén-1-yl]-4,6,7-triméthyl-2-oxabicyclo[2.2.1]heptane-3,5-dione [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-3,5-dione, 7-[(1E)-2-[(1S,6R,7R,8R)-8-[(1R,2E)-1-hydroxy-2-methyl-2-buten-1-yl]-2,4,6,8-tetramethylbicyclo[4.2.0]octa-2,4-dien-7-yl]-1-propen-1-yl]-4,6,7-trimethyl-, (4R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 565.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 178.9±23.6 °C
Index of Refraction: 1.566
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3537.17
ACD/KOC (pH 5.5): 12070.40
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3537.17
ACD/KOC (pH 7.4): 12070.40
Polar Surface Area: 64 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 405.4±3.0 cm3

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