ChemSpider 2D Image | Cabralealactone | C27H42O3

Cabralealactone

  • Molecular FormulaC27H42O3
  • Average mass414.621 Da
  • Monoisotopic mass414.313385 Da
  • ChemSpider ID23281688

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α)-4,4,8,14-Tetramethyl-20,24-epoxy-18-norcholan-3,24-dion [German] [ACD/IUPAC Name]
(5α)-4,4,8,14-Tetramethyl-20,24-epoxy-18-norcholane-3,24-dione [ACD/IUPAC Name]
(5α)-4,4,8,14-Tétraméthyl-20,24-époxy-18-norcholane-3,24-dione [French] [ACD/IUPAC Name]
(5α,17β)-4,4,8,10,14-pentamethyl-17-[(2S)-2-methyl-5-oxotetrahydrofuran-2-yl]gonan-3-one
19865-87-3 [RN]
Cabralealactone
Gonan-3-one, 4,4,8,10,14-pentamethyl-17-[(2S)-tetrahydro-2-methyl-5-oxo-2-furanyl]-, (5α,17β)- [ACD/Index Name]
(20S)-23,24-epoxy-25,26,27-trinordammarane-3,24-dione
[19865-87-3] [RN]
25,26,27-trinordammaran-3-on-20(S),24-olide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 516.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 219.5±22.7 °C
Index of Refraction: 1.517
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20734.74
ACD/KOC (pH 5.5): 42803.45
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20734.74
ACD/KOC (pH 7.4): 42803.45
Polar Surface Area: 43 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 392.1±3.0 cm3

Click to predict properties on the Chemicalize site


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