ChemSpider 2D Image | (1S,3R,4aS,6R,6aR,6bR,7aS,10R,10aR,12aR,12bS)-10-(3-Furyl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-1,3-diyl diacetate | C30H40O9

(1S,3R,4aS,6R,6aR,6bR,7aS,10R,10aR,12aR,12bS)-10-(3-Furyl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-1,3-diyl diacetate

  • Molecular FormulaC30H40O9
  • Average mass544.633 Da
  • Monoisotopic mass544.267212 Da
  • ChemSpider ID31106562

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,3R,4aS,6R,6aR,6bR,7aS,10R,10aR,12aR,12bS)-10-(3-Furyl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromen-1,3-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,3R,4aS,6R,6aR,6bR,7aS,10R,10aR,12aR,12bS)-10-(3-Furyl)-6-hydroxy-4,4,6a,10a,12b-pentamethyl-8-oxohexadecahydronaphtho[2,1-f]oxireno[d]isochromene-1,3-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1S,3R,4aS,6R,6aR,6bR,7aS,10R,10aR,12aR,12bS)-10-(3-furyl)-6-hydroxy-4,4,6a,10a,12b-pentaméthyl-8-oxohexadécahydronaphto[2,1-f]oxiréno[d]isochromène-1,3-diyle [French] [ACD/IUPAC Name]
Oxireno[c]phenanthro[1,2-d]pyran-8(7aH)-one, 1,3-bis(acetyloxy)-10-(3-furanyl)tetradecahydro-6-hydroxy-4,4,6a,10a,12b-pentamethyl-, (1S,3R,4aS,6R,6aR,6bR,7aS,10R,10aR,12aR,12bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.3±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.24
ACD/KOC (pH 5.5): 1955.78
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 278.24
ACD/KOC (pH 7.4): 1955.78
Polar Surface Area: 125 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 419.8±5.0 cm3

Click to predict properties on the Chemicalize site


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