ChemSpider 2D Image | (4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-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-yl propionate | C29H36O7

(4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-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-yl propionate

  • Molecular FormulaC29H36O7
  • Average mass496.592 Da
  • Monoisotopic mass496.246094 Da
  • ChemSpider ID23343081

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-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-yl propionate [ACD/IUPAC Name]
(4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-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-ylpropionat [German] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-3,8(4H,7aH)-dione, 10-(3-furanyl)-4a,5,6,6a,10,10a,11,12,12a,12b-decahydro-4,4,6a,10a,12b-pentamethyl-6-(1-oxopropoxy)-, (4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)- [ACD/Index Name]
Propionate de (4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-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]isochromén-6-yle [French] [ACD/IUPAC Name]
(1S,3aS,41R,4a1S,5R,6aR,10aR,10bR,12aS)-1-(furan-3-yl)-4a1,7,7,10a,12a-pentamethyl-3,8-dioxo-1,3,3a,4a1,5,6,6a,7,8,10a,10b,11,12,12a-tetradecahydronaphtho[2,1-f]oxireno[2,3-d]isochromen-5-yl propionate
(4aR,6R,6aS,6bR,7aS,10S,10aS,12aR,12bR)-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]isochromen-6-yl propanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 627.55
ACD/KOC (pH 5.5): 3500.74
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 627.55
ACD/KOC (pH 7.4): 3500.74
Polar Surface Area: 95 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 392.7±5.0 cm3

Click to predict properties on the Chemicalize site


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