Found 9 results

Search term: PMISPNORJONCHB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4aR,6aR,6bR,7aS,10R,10aS,12aR,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-4a,6a,10,10a,11,12,12a,12b-octahydronaphtho[2,1-f]oxireno[d]isochromene-3,6,8(4H,5H,7aH)-trione | C26H30O6

(4aR,6aR,6bR,7aS,10R,10aS,12aR,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-4a,6a,10,10a,11,12,12a,12b-octahydronaphtho[2,1-f]oxireno[d]isochromene-3,6,8(4H,5H,7aH)-trione

  • Molecular FormulaC26H30O6
  • Average mass438.513 Da
  • Monoisotopic mass438.204254 Da
  • ChemSpider ID23278352

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aR,6aR,6bR,7aS,10R,10aS,12aR,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-4a,6a,10,10a,11,12,12a,12b-octahydronaphtho[2,1-f]oxireno[d]isochromen-3,6,8(4H,5H,7aH)-trion [German] [ACD/IUPAC Name]
(4aR,6aR,6bR,7aS,10R,10aS,12aR,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-4a,6a,10,10a,11,12,12a,12b-octahydronaphtho[2,1-f]oxireno[d]isochromene-3,6,8(4H,5H,7aH)-trione [ACD/IUPAC Name]
(4aR,6aR,6bR,7aS,10R,10aS,12aR,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentaméthyl-4a,6a,10,10a,11,12,12a,12b-octahydronaphto[2,1-f]oxiréno[d]isochromène-3,6,8(4H,5H,7aH)-trione [French] [ACD/IUPAC Name]
(4aR,6aR,6bR,7aS,10S,10aS,12aR,12bS)-10-(furan-3-yl)-4,4,6a,10a,12b-pentamethyl-4a,6a,10,10a,11,12,12a,12b-octahydronaphtho[2,1-f]oxireno[d]isochromene-3,6,8(4H,5H,7aH)-trione
Oxireno[c]phenanthro[1,2-d]pyran-3,6,8(4H,5H,7aH)-trione, 10-(3-furanyl)-4a,6a,10,10a,11,12,12a,12b-octahydro-4,4,6a,10a,12b-pentamethyl-, (4aR,6aR,6bR,7aS,10R,10aS,12aR,12bS)- [ACD/Index Name]
7-deacetyl-7-oxogedunin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL374788/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.5±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 114.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 105.11
ACD/KOC (pH 5.5): 974.30
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 105.11
ACD/KOC (pH 7.4): 974.30
Polar Surface Area: 86 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 337.8±5.0 cm3

Click to predict properties on the Chemicalize site


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