ChemSpider 2D Image | Methyl (4aS,8aS)-8-{(E)-1-acetoxy-2-[(1aR,3aS,5S,7aS,7bS)-5-acetoxy-1a,4,4,7a-tetramethyloctahydronaphtho[1,2-b]oxiren-7b(1aH)-yl]vinyl}-2,2,7-trimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenecarbox ylate | C35H52O7

Methyl (4aS,8aS)-8-{(E)-1-acetoxy-2-[(1aR,3aS,5S,7aS,7bS)-5-acetoxy-1a,4,4,7a-tetramethyloctahydronaphtho[1,2-b]oxiren-7b(1aH)-yl]vinyl}-2,2,7-trimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenecarbox ylate

  • Molecular FormulaC35H52O7
  • Average mass584.783 Da
  • Monoisotopic mass584.371277 Da
  • ChemSpider ID10167038

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aS,8aS)-8-{(E)-1-Acétoxy-2-[(1aR,3aS,5S,7aS,7bS)-5-acétoxy-1a,4,4,7a-tétraméthyloctahydronaphto[1,2-b]oxirén-7b(1aH)-yl]vinyl}-2,2,7-triméthyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphtalènecarboxylate de méthyle [French] [ACD/IUPAC Name]
4a(2H)-Naphthalenecarboxylic acid, 8-[(E)-1-(acetyloxy)-2-[(1aR,3aS,5S,7aS,7bS)-5-(acetyloxy)octahydro-1a,4,4,7a-tetramethylnaphth[1,2-b]oxiren-7b(1aH)-yl]ethenyl]-1,3,4,5,6,8a-hexahydro-2,2,7-trimeth yl-, methyl ester, (4aS,8aS)- [ACD/Index Name]
Methyl (4aS,8aS)-8-{(E)-1-acetoxy-2-[(1aR,3aS,5S,7aS,7bS)-5-acetoxy-1a,4,4,7a-tetramethyloctahydronaphtho[1,2-b]oxiren-7b(1aH)-yl]vinyl}-2,2,7-trimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalenecarbox ylate [ACD/IUPAC Name]
Methyl-(4aS,8aS)-8-{(E)-1-acetoxy-2-[(1aR,3aS,5S,7aS,7bS)-5-acetoxy-1a,4,4,7a-tetramethyloctahydronaphtho[1,2-b]oxiren-7b(1aH)-yl]vinyl}-2,2,7-trimethyl-1,3,4,5,6,8a-hexahydro-4a(2H)-naphthalincarboxy lat [German] [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: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 245.4±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 160.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.31
ACD/LogD (pH 5.5): 8.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 738681.69
ACD/LogD (pH 7.4): 8.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 738681.69
Polar Surface Area: 91 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 510.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement