ChemSpider 2D Image | (4aS,4bR,6S,6aR,7aS,8R,9R,10aS,11aS,11bR,13aS)-7a-Hydroxy-1,1,4a,6a,11b-pentamethyl-7-oxoicosahydrochryseno[3,2-b]furan-6,8,9-triyl triacetate | C31H46O9

(4aS,4bR,6S,6aR,7aS,8R,9R,10aS,11aS,11bR,13aS)-7a-Hydroxy-1,1,4a,6a,11b-pentamethyl-7-oxoicosahydrochryseno[3,2-b]furan-6,8,9-triyl triacetate

  • Molecular FormulaC31H46O9
  • Average mass562.692 Da
  • Monoisotopic mass562.314209 Da
  • ChemSpider ID9788580

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(4aS,4bR,6S,6aR,7aS,8R,9R,10aS,11aS,11bR,13aS)-7a-Hydroxy-1,1,4a,6a,11b-pentamethyl-7-oxoicosahydrochryseno[3,2-b]furan-6,8,9-triyl triacetate [ACD/IUPAC Name]
(4aS,4bR,6S,6aR,7aS,8R,9R,10aS,11aS,11bR,13aS)-7a-Hydroxy-1,1,4a,6a,11b-pentamethyl-7-oxoicosahydrochryseno[3,2-b]furan-6,8,9-triyl-triacetat [German] [ACD/IUPAC Name]
Chryseno[3,2-b]furan-7(1H)-one, 6,8,9-tris(acetyloxy)octadecahydro-7a-hydroxy-1,1,4a,6a,11b-pentamethyl-, (4aS,4bR,6S,6aR,7aS,8R,9R,10aS,11aS,11bR,13aS)- [ACD/Index Name]
Triacétate de (4aS,4bR,6S,6aR,7aS,8R,9R,10aS,11aS,11bR,13aS)-7a-hydroxy-1,1,4a,6a,11b-pentaméthyl-7-oxoicosahydrochryséno[3,2-b]furane-6,8,9-triyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 183.9±25.0 °C
Index of Refraction: 1.545
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33933.43
ACD/KOC (pH 5.5): 60898.48
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33914.91
ACD/KOC (pH 7.4): 60865.26
Polar Surface Area: 125 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 456.1±5.0 cm3

Click to predict properties on the Chemicalize site


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