Found 14 results

Search term: MF = 'C_{39}H_{60}O_{9}'
ChemSpider 2D Image | [(2,2-Dimethylpropanoyl)oxy]methyl (2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-acetoxy-2-[2-(2-isopropyl-2-oxiranyl)-2-oxoethyl]-4a,4b,7,7,10a-pentamethyl-1-oxooctadecahydro-2-chrysenecarboxylate | C39H60O9

[(2,2-Dimethylpropanoyl)oxy]methyl (2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-acetoxy-2-[2-(2-isopropyl-2-oxiranyl)-2-oxoethyl]-4a,4b,7,7,10a-pentamethyl-1-oxooctadecahydro-2-chrysenecarboxylate

  • Molecular FormulaC39H60O9
  • Average mass672.888 Da
  • Monoisotopic mass672.423706 Da
  • ChemSpider ID13088802

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-Acétoxy-2-[2-(2-isopropyl-2-oxiranyl)-2-oxoéthyl]-4a,4b,7,7,10a-pentaméthyl-1-oxooctadécahydro-2-chrysènecarboxylate de [(2,2-diméthylpropanoyl)oxy]méthyle [French] [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl (2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-acetoxy-2-[2-(2-isopropyl-2-oxiranyl)-2-oxoethyl]-4a,4b,7,7,10a-pentamethyl-1-oxooctadecahydro-2-chrysenecarboxylate [ACD/IUPAC Name]
[(2,2-Dimethylpropanoyl)oxy]methyl-(2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-acetoxy-2-[2-(2-isopropyl-2-oxiranyl)-2-oxoethyl]-4a,4b,7,7,10a-pentamethyl-1-oxooctadecahydro-2-chrysencarboxylat [German] [ACD/IUPAC Name]
2-Chrysenecarboxylic acid, 8-(acetyloxy)octadecahydro-4a,4b,7,7,10a-pentamethyl-2-[2-[2-(1-methylethyl)oxiranyl]-2-oxoethyl]-1-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (2R,4aR,4bR,6aR,8S,10aR,10 bR,12aS)- [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: 685.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 275.4±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 179.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 7.51
ACD/BCF (pH 5.5): 299899.28
ACD/KOC (pH 5.5): 289729.53
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 299899.28
ACD/KOC (pH 7.4): 289729.53
Polar Surface Area: 126 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 583.5±5.0 cm3

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