ChemSpider 2D Image | cabraleahydroxylactone | C27H44O3

cabraleahydroxylactone

  • Molecular FormulaC27H44O3
  • Average mass416.637 Da
  • Monoisotopic mass416.329041 Da
  • ChemSpider ID23281689

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5α)-3-Hydroxy-4,4,8,14-tetramethyl-20,24-epoxy-18-norcholan-24-on [German] [ACD/IUPAC Name]
(3α,5α)-3-Hydroxy-4,4,8,14-tetramethyl-20,24-epoxy-18-norcholan-24-one [ACD/IUPAC Name]
(3α,5α)-3-Hydroxy-4,4,8,14-tétraméthyl-20,24-époxy-18-norcholan-24-one [French] [ACD/IUPAC Name]
(5S)-5-[(3α,5α,17β)-3-hydroxy-4,4,8,10,14-pentamethylgonan-17-yl]-5-methyldihydrofuran-2(3H)-one
2(3H)-Furanone, dihydro-5-[(3α,5α,17β)-3-hydroxy-4,4,8,10,14-pentamethylgonan-17-yl]-5-methyl-, (5S)- [ACD/Index Name]
35833-69-3 [RN]
cabraleahydroxylactone
[35833-69-3] [RN]
MFCD20260494

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

Density: 1.1±0.1 g/cm3
Boiling Point: 518.7±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.1±6.0 kJ/mol
Flash Point: 196.1±15.4 °C
Index of Refraction: 1.524
Molar Refractivity: 120.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 35183.81
ACD/KOC (pH 5.5): 62496.54
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 35183.81
ACD/KOC (pH 7.4): 62496.54
Polar Surface Area: 47 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 392.6±3.0 cm3

Click to predict properties on the Chemicalize site


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