ChemSpider 2D Image | (4aS,6S,6aR,6bR,7aS,10R,10aS,12aS,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-yl acetate | C28H34O7

(4aS,6S,6aR,6bR,7aS,10R,10aS,12aS,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-yl acetate

  • Molecular FormulaC28H34O7
  • Average mass482.565 Da
  • Monoisotopic mass482.230438 Da
  • ChemSpider ID127383633

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4aS,6S,6aR,6bR,7aS,10R,10aS,12aS,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-yl acetate [ACD/IUPAC Name]
(4aS,6S,6aR,6bR,7aS,10R,10aS,12aS,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-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4aS,6S,6aR,6bR,7aS,10R,10aS,12aS,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]isochromén-6-yle [French] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-3,8(4H,7aH)-dione, 6-(acetyloxy)-10-(3-furanyl)-4a,5,6,6a,10,10a,11,12,12a,12b-decahydro-4,4,6a,10a,12b-pentamethyl-, (4aS,6S,6aR,6bR,7aS,10R,10aS,12aS,12bS)- [ACD/Index Name]
[(1R,2R,4S,7R,8S,11S,12R,17S,19S)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,15-dioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate
2753-30-2 [RN]
Gedunin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 125.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.64
ACD/KOC (pH 5.5): 2082.01
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 303.64
ACD/KOC (pH 7.4): 2082.01
Polar Surface Area: 95 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 376.6±5.0 cm3

Click to predict properties on the Chemicalize site


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