ChemSpider 2D Image | Cabraleahydroxylactone acetate | C29H46O4

Cabraleahydroxylactone acetate

  • Molecular FormulaC29H46O4
  • Average mass458.673 Da
  • Monoisotopic mass458.339600 Da
  • ChemSpider ID28425495
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3α,5α)-4,4,8,14-Tetramethyl-24-oxo-20,24-epoxy-18-norcholan-3-yl acetate [ACD/IUPAC Name]
(3α,5α)-4,4,8,14-Tetramethyl-24-oxo-20,24-epoxy-18-norcholan-3-yl-acetat [German] [ACD/IUPAC Name]
2(3H)-Furanone, 5-[(3α,5α,17β)-3-(acetyloxy)-4,4,8,10,14-pentamethylgonan-17-yl]dihydro-5-methyl-, (5S)- [ACD/Index Name]
Acétate de (3α,5α)-4,4,8,14-tétraméthyl-24-oxo-20,24-époxy-18-norcholan-3-yle [French] [ACD/IUPAC Name]
Cabraleahydroxylactone acetate
[35833-70-6]
[35833-72-8]
[35835-94-0]
35833-70-6 [RN]
35833-72-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 529.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.9±21.0 °C
Index of Refraction: 1.530
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 7.19
ACD/BCF (pH 5.5): 171508.58
ACD/KOC (pH 5.5): 194212.91
ACD/LogD (pH 7.4): 7.19
ACD/BCF (pH 7.4): 171508.58
ACD/KOC (pH 7.4): 194212.91
Polar Surface Area: 53 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 41.6±5.0 dyne/cm
Molar Volume: 420.1±5.0 cm3

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