ChemSpider 2D Image | Methyl (2R,4aR,4bR,10aR)-8-acetoxy-2-(acetoxymethyl)-4a,4b,7,7,10a-pentamethyl-1-pyruvoyloctadecahydro-2-chrysenecarboxylate | C33H50O8

Methyl (2R,4aR,4bR,10aR)-8-acetoxy-2-(acetoxymethyl)-4a,4b,7,7,10a-pentamethyl-1-pyruvoyloctadecahydro-2-chrysenecarboxylate

  • Molecular FormulaC33H50O8
  • Average mass574.745 Da
  • Monoisotopic mass574.350586 Da
  • ChemSpider ID8320229

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(2R,4aR,4bR,10aR)-8-Acétoxy-2-(acétoxyméthyl)-4a,4b,7,7,10a-pentaméthyl-1-pyruvoyloctadécahydro-2-chrysènecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Chrysenecarboxylic acid, 8-(acetyloxy)-2-[(acetyloxy)methyl]-1-(1,2-dioxopropyl)octadecahydro-4a,4b,7,7,10a-pentamethyl-, methyl ester, (2R,4aR,4bR,10aR)- [ACD/Index Name]
Methyl (2R,4aR,4bR,10aR)-8-acetoxy-2-(acetoxymethyl)-4a,4b,7,7,10a-pentamethyl-1-pyruvoyloctadecahydro-2-chrysenecarboxylate [ACD/IUPAC Name]
Methyl-(2R,4aR,4bR,10aR)-8-acetoxy-2-(acetoxymethyl)-4a,4b,7,7,10a-pentamethyl-1-pyruvoyloctadecahydro-2-chrysencarboxylat [German] [ACD/IUPAC 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: 590.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 242.0±23.2 °C
Index of Refraction: 1.522
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45609.54
ACD/KOC (pH 5.5): 75254.84
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45609.54
ACD/KOC (pH 7.4): 75254.84
Polar Surface Area: 113 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 499.4±5.0 cm3

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