ChemSpider 2D Image | [(4aR,4bS,6S,6aS,7R,10aS,10bR,12aS)-6-Acetoxy-8-acetyl-7-formyl-1,1,6a,10b-tetramethyl-1,3,4,4b,5,6,6a,7,10,10a,10b,11,12,12a-tetradecahydro-4a(2H)-chrysenyl]methyl acetate | C30H44O6

[(4aR,4bS,6S,6aS,7R,10aS,10bR,12aS)-6-Acetoxy-8-acetyl-7-formyl-1,1,6a,10b-tetramethyl-1,3,4,4b,5,6,6a,7,10,10a,10b,11,12,12a-tetradecahydro-4a(2H)-chrysenyl]methyl acetate

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID40256912

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(4aR,4bS,6S,6aS,7R,10aS,10bR,12aS)-6-Acetoxy-8-acetyl-7-formyl-1,1,6a,10b-tetramethyl-1,3,4,4b,5,6,6a,7,10,10a,10b,11,12,12a-tetradecahydro-4a(2H)-chrysenyl]methyl acetate [ACD/IUPAC Name]
[(4aR,4bS,6S,6aS,7R,10aS,10bR,12aS)-6-Acetoxy-8-acetyl-7-formyl-1,1,6a,10b-tetramethyl-1,3,4,4b,5,6,6a,7,10,10a,10b,11,12,12a-tetradecahydro-4a(2H)-chrysenyl]methyl-acetat [German] [ACD/IUPAC Name]
1-Chrysenecarboxaldehyde, 2-acetyl-12-(acetyloxy)-10a-[(acetyloxy)methyl]-1,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-4b,7,7,12a-tetramethyl-, (1R,4aS,4bR,6aS,10aR,10bS,12S,12aS)- [ACD/Index Name]
Acétate de [(4aR,4bS,6S,6aS,7R,10aS,10bR,12aS)-6-acétoxy-8-acétyl-7-formyl-1,1,6a,10b-tétraméthyl-1,3,4,4b,5,6,6a,7,10,10a,10b,11,12,12a-tétradécahydro-4a(2H)-chrysényl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 564.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 235.7±30.2 °C
Index of Refraction: 1.531
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31590.43
ACD/KOC (pH 5.5): 57858.32
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31590.43
ACD/KOC (pH 7.4): 57858.32
Polar Surface Area: 87 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 441.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement