ChemSpider 2D Image | [(1R,3S,5aS,5bR,7aS,11aR,11bS,13S,13aS,13bS)-13-Acetoxy-1-hydroxy-3,5b,8,8,13a-pentamethyl-1,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-11a(3H)-yl]methyl acetate | C30H46O6

[(1R,3S,5aS,5bR,7aS,11aR,11bS,13S,13aS,13bS)-13-Acetoxy-1-hydroxy-3,5b,8,8,13a-pentamethyl-1,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-11a(3H)-yl]methyl acetate

  • Molecular FormulaC30H46O6
  • Average mass502.683 Da
  • Monoisotopic mass502.329437 Da
  • ChemSpider ID35517134

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

[(1R,3S,5aS,5bR,7aS,11aR,11bS,13S,13aS,13bS)-13-Acetoxy-1-hydroxy-3,5b,8,8,13a-pentamethyl-1,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-11a(3H)-yl]methyl acetate [ACD/IUPAC Name]
[(1R,3S,5aS,5bR,7aS,11aR,11bS,13S,13aS,13bS)-13-Acetoxy-1-hydroxy-3,5b,8,8,13a-pentamethyl-1,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-11a(3H)-yl]methyl-acetat [German] [ACD/IUPAC Name]
Acétate de [(1R,3S,5aS,5bR,7aS,11aR,11bS,13S,13aS,13bS)-13-acétoxy-1-hydroxy-3,5b,8,8,13a-pentaméthyl-1,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadécahydrochryséno[1,2-c]furan-11a(3H)-yl]méthyle [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-1,13-diol, 11a-[(acetyloxy)methyl]-1,3,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-3,5b,8,8,13a-pentamethyl-, 13-acetate, (1R,3S,5aS,5bR,7aS,11aR,11bS,13S,13aS,13 bS)- [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: 566.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.7±6.0 kJ/mol
Flash Point: 174.3±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21378.40
ACD/KOC (pH 5.5): 43750.41
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21378.28
ACD/KOC (pH 7.4): 43750.17
Polar Surface Area: 82 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 433.4±5.0 cm3

Click to predict properties on the Chemicalize site


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