ChemSpider 2D Image | 11alpha,12alpha-epoxy-3beta,23-dihydroxy-30-nor-olean-20(29)-en-28,13beta-olide | C29H42O5

11α,12α-epoxy-3β,23-dihydroxy-30-nor-olean-20(29)-en-28,13β-olide

  • Molecular FormulaC29H42O5
  • Average mass470.641 Da
  • Monoisotopic mass470.303223 Da
  • ChemSpider ID33823831

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1S,2S,4S,5R,6S,9S,10R,11R,14R,15S,18S,23R)-9-Hydroxy-10-(hydroxymethyl)-6,10,14,15-tetramethyl-21-methylen-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-on [German] [ACD/IUPAC Name]
(1S,2S,4S,5R,6S,9S,10R,11R,14R,15S,18S,23R)-9-Hydroxy-10-(hydroxymethyl)-6,10,14,15-tetramethyl-21-methylene-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one [ACD/IUPAC Name]
(1S,2S,4S,5R,6S,9S,10R,11R,14R,15S,18S,23R)-9-Hydroxy-10-(hydroxyméthyl)-6,10,14,15-tétraméthyl-21-méthylène-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosan-25-one [French] [ACD/IUPAC Name]
11α,12α-epoxy-3β,23-dihydroxy-30-nor-olean-20(29)-en-28,13β-olide
2H,5H-13b,4a-(Epoxymethano)piceno[13,14-b]oxiren-15-one, octadecahydro-10-hydroxy-9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylene-, (4aS,6aS,6bR,8aR,9R,10S,12aS,12bR,12cS,13aS,13bS,13cR)- [ACD/Index Name]
11α,12α-Epoxy-3β,23-dihydroxy-30-norolean-20(29)-en-28,13β-olide
186140-36-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 621.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 202.9±25.0 °C
Index of Refraction: 1.597
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 715.33
ACD/KOC (pH 5.5): 3844.67
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 715.33
ACD/KOC (pH 7.4): 3844.67
Polar Surface Area: 79 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 376.3±5.0 cm3

Click to predict properties on the Chemicalize site


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