ChemSpider 2D Image | (4aR,6R,6aS,6bR,7aS,10S,10aS,12R,12aR,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromene-6,12-diyl diacet ate | C30H36O9

(4aR,6R,6aS,6bR,7aS,10S,10aS,12R,12aR,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromene-6,12-diyl diacet ate

  • Molecular FormulaC30H36O9
  • Average mass540.601 Da
  • Monoisotopic mass540.235962 Da
  • ChemSpider ID17245207

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(4aR,6R,6aS,6bR,7aS,10S,10aS,12R,12aR,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromen-6,12-diyl-diaceta t [German] [ACD/IUPAC Name]
(4aR,6R,6aS,6bR,7aS,10S,10aS,12R,12aR,12bS)-10-(3-Furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromene-6,12-diyl diacet ate [ACD/IUPAC Name]
Diacétate de (4aR,6R,6aS,6bR,7aS,10S,10aS,12R,12aR,12bS)-10-(3-furyl)-4,4,6a,10a,12b-pentaméthyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tétradécahydronaphto[2,1-f]oxiréno[d]isochromène-6,12 -diyle [French] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-3,8(4H,7aH)-dione, 6,12-bis(acetyloxy)-10-(3-furanyl)-4a,5,6,6a,10,10a,11,12,12a,12b-decahydro-4,4,6a,10a,12b-pentamethyl-, (4aR,6R,6aS,6bR,7aS,10S,10aS,12R,12aR,12bS) - [ACD/Index Name]
(4aR,6R,6aS,6bR,7aS,10R,10aS,12R,12aR,12bS)-10-(furan-3-yl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydronaphtho[2,1-f]oxireno[d]isochromene-6,12-diyl diacetate
11α-acetoxygedunin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL503060/
oxireno[c]phenanthro[1,2-d]pyran-3,8(4H,7aH)-dione, 6,12-bis(acetyloxy)-10-(3-furanyl)-4a,5,6,6a,10,10a,11,12,12a,12b-decahydro-4,4,6a,10a,12b-pentamethyl-, (4aR,6R,6aS,6bR,7aS,10R,10aS,12R,12aR,12bS)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 136.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 174.65
ACD/KOC (pH 5.5): 1401.34
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 174.65
ACD/KOC (pH 7.4): 1401.34
Polar Surface Area: 122 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 412.1±5.0 cm3

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