ChemSpider 2D Image | Methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha,14xi)-3-acetoxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate | C28H38O7

Methyl (3β,5β,8α,9β,10α,13α,14ξ)-3-acetoxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID107445750

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,5β,8α,9β,10α,13α,14ξ)-3-Acétoxy-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)-4,4,8,12,16-pentamethyl-15,17,19-trioxo-, methyl ester, (3β,5β,8α,9β,10α,13α,14ξ)- [ACD/Index Name]
Methyl (3β,5β,8α,9β,10α,13α,14ξ)-3-acetoxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-ene-14-carboxylate [ACD/IUPAC Name]
Methyl-(3β,5β,8α,9β,10α,13α,14ξ)-3-acetoxy-4,4,8,12,16-pentamethyl-15,17,19-trioxoandrost-11-en-14-carboxylat [German] [ACD/IUPAC Name]
174232-42-9 [RN]
721924-06-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 236.1±30.2 °C
Index of Refraction: 1.541
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1684.11
ACD/KOC (pH 5.5): 7095.41
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1626.42
ACD/KOC (pH 7.4): 6852.34
Polar Surface Area: 104 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 405.9±5.0 cm3

Click to predict properties on the Chemicalize site


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