ChemSpider 2D Image | (1R,5aR,7R,7aS,11aR,11bR,13aS,13bR)-1-Hydroxy-8,8,11a,13a-tetramethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-7-yl acetate | C26H38O4

(1R,5aR,7R,7aS,11aR,11bR,13aS,13bR)-1-Hydroxy-8,8,11a,13a-tetramethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-7-yl acetate

  • Molecular FormulaC26H38O4
  • Average mass414.578 Da
  • Monoisotopic mass414.277008 Da
  • ChemSpider ID35516872

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,5aR,7R,7aS,11aR,11bR,13aS,13bR)-1-Hydroxy-8,8,11a,13a-tetramethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-7-yl acetate [ACD/IUPAC Name]
(1R,5aR,7R,7aS,11aR,11bR,13aS,13bR)-1-Hydroxy-8,8,11a,13a-tetramethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-7-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,5aR,7R,7aS,11aR,11bR,13aS,13bR)-1-hydroxy-8,8,11a,13a-tétraméthyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadécahydrochryséno[1,2-c]furan-7-yle [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-1,7-diol, 1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-8,8,11a,13a-tetramethyl-, 7-acetate, (1R,5aR,7R,7aS,11aR,11bR,13aS,13bR)- [ACD/Index 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: 524.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.9±6.0 kJ/mol
Flash Point: 170.3±23.6 °C
Index of Refraction: 1.564
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10580.86
ACD/KOC (pH 5.5): 26444.87
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10580.81
ACD/KOC (pH 7.4): 26444.75
Polar Surface Area: 56 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 358.3±5.0 cm3

Click to predict properties on the Chemicalize site


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