ChemSpider 2D Image | (5alpha,9alpha,10beta)-16-Oxobeyeran-19-oic acid | C20H30O3

(5α,9α,10β)-16-Oxobeyeran-19-oic acid

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID35303405

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5α,9α,10β)-16-Oxobeyeran-19-oic acid [ACD/IUPAC Name]
Acide (5α,9α,10β)-16-oxobeyeran-19-oïque [French] [ACD/IUPAC Name]
(1R,4R,5S,9R,10S,13S)-5,9,13-trimethyl-14-oxotetracyclo[11.2.1.0¹,¹?.0?,?]hexadecane-5-carboxylic acid
(4S,4aR,6aR,9S,11aS,11bR)-4,9,11b-trimethyl-8-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
17-Norkauran-18-oic acid, 13-methyl-16-oxo-, (4a,8b,13b)-
27975-19-5 [RN]
isosteviol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 455.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 243.5±23.3 °C
Index of Refraction: 1.551
Molar Refractivity: 88.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 129.55
ACD/KOC (pH 5.5): 640.62
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 10.14
Polar Surface Area: 54 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

Click to predict properties on the Chemicalize site


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