ChemSpider 2D Image | Acetoxymethyl (2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-acetoxy-2-(2-methoxy-2-oxoethyl)-4a,4b,7,7,10a-pentamethyl-1-oxooctadecahydro-2-chrysenecarboxylate | C32H48O9

Acetoxymethyl (2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-acetoxy-2-(2-methoxy-2-oxoethyl)-4a,4b,7,7,10a-pentamethyl-1-oxooctadecahydro-2-chrysenecarboxylate

  • Molecular FormulaC32H48O9
  • Average mass576.718 Da
  • Monoisotopic mass576.329834 Da
  • ChemSpider ID9528613

  • defined stereocentres - 8 of 8 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-méthoxy-2-oxoéthyl)-4a,4b,7,7,10a-pentaméthyl-1-oxooctadécahydro-2-chrysènecarboxylate d'acétoxyméthyle [French] [ACD/IUPAC Name]
(acetyloxy)methyl (2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-(acetyloxy)-2-(2-methoxy-2-oxoethyl)-4a,4b,7,7,10a-pentamethyl-1-oxooctadecahydrochrysene-2-carboxylate
2-Chryseneacetic acid, 8-(acetyloxy)-2-[[(acetyloxy)methoxy]carbonyl]octadecahydro-4a,4b,7,7,10a-pentamethyl-1-oxo-, methyl ester, (2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)- [ACD/Index Name]
Acetoxymethyl (2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-acetoxy-2-(2-methoxy-2-oxoethyl)-4a,4b,7,7,10a-pentamethyl-1-oxooctadecahydro-2-chrysenecarboxylate [ACD/IUPAC Name]
Acetoxymethyl-(2R,4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-acetoxy-2-(2-methoxy-2-oxoethyl)-4a,4b,7,7,10a-pentamethyl-1-oxooctadecahydro-2-chrysencarboxylat [German] [ACD/IUPAC Name]
(4aR,4bR,6aR,8S,10aR,10bR,12aS)-8-Acetoxy-2-((R)-methoxycarbonylmethyl)-4a,4b,7,7,10a-pentamethyl-1-oxo-octadecahydro-chrysene-2-carboxylic acid acetoxymethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 607.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 250.2±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 149.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26860.84
ACD/KOC (pH 5.5): 51516.74
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26860.84
ACD/KOC (pH 7.4): 51516.74
Polar Surface Area: 122 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 488.7±5.0 cm3

Click to predict properties on the Chemicalize site


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