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

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

  • Molecular FormulaC26H38O4
  • Average mass414.578 Da
  • Monoisotopic mass414.277008 Da
  • ChemSpider ID35516871

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(1R,5aR,7aR,8S,11aR,11bR,13aS,13bR)-1-Hydroxy-8,11a,13a-trimethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-8-yl]methyl acetate [ACD/IUPAC Name]
[(1R,5aR,7aR,8S,11aR,11bR,13aS,13bR)-1-Hydroxy-8,11a,13a-trimethyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-8-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(1R,5aR,7aR,8S,11aR,11bR,13aS,13bR)-1-hydroxy-8,11a,13a-triméthyl-1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadécahydrochryséno[1,2-c]furan-8-yl]méthyle [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-8-methanol, 1,3,5,5a,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-hexadecahydro-1-hydroxy-8,11a,13a-trimethyl-, α-acetate, (1R,5aR,7aR,8S,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: 529.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 172.2±23.6 °C
Index of Refraction: 1.566
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.54
ACD/BCF (pH 5.5): 9622.21
ACD/KOC (pH 5.5): 24706.88
ACD/LogD (pH 7.4): 5.54
ACD/BCF (pH 7.4): 9622.18
ACD/KOC (pH 7.4): 24706.80
Polar Surface Area: 56 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 357.7±5.0 cm3

Click to predict properties on the Chemicalize site


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