ChemSpider 2D Image | Methyl (13alpha,14beta,17alpha,20S,24E)-3-oxolanosta-7,24-dien-26-oate | C31H48O3

Methyl (13α,14β,17α,20S,24E)-3-oxolanosta-7,24-dien-26-oate

  • Molecular FormulaC31H48O3
  • Average mass468.711 Da
  • Monoisotopic mass468.360352 Da
  • ChemSpider ID88298069

  • 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

(13α,14β,17α,20S,24E)-3-Oxolanosta-7,24-dién-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanosta-7,24-dien-26-oic acid, 3-oxo-, methyl ester, (13α,14β,17α,20S,24E)- [ACD/Index Name]
Methyl (13α,14β,17α,20S,24E)-3-oxolanosta-7,24-dien-26-oate [ACD/IUPAC Name]
Methyl-(13α,14β,17α,20S,24E)-3-oxolanosta-7,24-dien-26-oat [German] [ACD/IUPAC Name]
79157-62-3 [RN]
methyl (E,6S)-2-methyl-6-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoate
Methyl adenophorate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 537.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 223.6±30.2 °C
Index of Refraction: 1.528
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 9.48
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 885407.25
ACD/LogD (pH 7.4): 8.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 885407.25
Polar Surface Area: 43 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 450.4±5.0 cm3

Click to predict properties on the Chemicalize site


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