ChemSpider 2D Image | 4a,7-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,5,6-triyl triacetate | C26H36O9

4a,7-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,5,6-triyl triacetate

  • Molecular FormulaC26H36O9
  • Average mass492.559 Da
  • Monoisotopic mass492.235931 Da
  • ChemSpider ID72390931

More details:

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

4a,7-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,5,6-triyl triacetate [ACD/IUPAC Name]
4a,7-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-1,5,6-triyl-triacetat [German] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-1,4a,5,6,7(2H)-pentol, 1,3,4,5,6,6a,7,11,11a,11b-decahydro-4,4,7,11b-tetramethyl-, 1,5,6-triacetate [ACD/Index Name]
Triacétate de 4a,7-dihydroxy-4,4,7,11b-tétraméthyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodécahydrophénanthro[3,2-b]furane-1,5,6-triyle [French] [ACD/IUPAC Name]
204185-91-1 [RN]
Caesalmin E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.8±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.24
ACD/KOC (pH 5.5): 1282.07
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.24
ACD/KOC (pH 7.4): 1282.06
Polar Surface Area: 133 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 382.3±5.0 cm3

Click to predict properties on the Chemicalize site


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