ChemSpider 2D Image | penimeroterpenoid A | C28H38O8

penimeroterpenoid A

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID107451641

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β,8α,9β,10α,13α,16β)-3-Acétoxy-16-hydroxy-4,4,8,12,16-pentaméthyl-15,17,19-trioxoandrost-11-ène-14-carboxylate de méthyle [French] [ACD/IUPAC Name]
Androst-11-ene-14-carboxylic acid, 3-(acetyloxy)-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxo-, methyl ester, (3β,5β,8α,9β,10α,13α,16β)- [ACD/Index Name]
Methyl (3β,5β,8α,9β,10α,13α,16β)-3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate [ACD/IUPAC Name]
Methyl-(3β,5β,8α,9β,10α,13α,16β)-3-acetoxy-16-hydroxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-en-14-carboxylat [German] [ACD/IUPAC Name]
penimeroterpenoid A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 589.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 186.7±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 129.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 687.95
ACD/KOC (pH 5.5): 3738.73
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 687.11
ACD/KOC (pH 7.4): 3734.14
Polar Surface Area: 124 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 402.9±5.0 cm3

Click to predict properties on the Chemicalize site


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