ChemSpider 2D Image | Andrastin B | C28H40O7

Andrastin B

  • Molecular FormulaC28H40O7
  • Average mass488.613 Da
  • Monoisotopic mass488.277405 Da
  • ChemSpider ID23550742

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.4±6.0 kJ/mol
Flash Point: 176.9±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 850.13
ACD/KOC (pH 5.5): 4349.98
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 829.84
ACD/KOC (pH 7.4): 4246.16
Polar Surface Area: 107 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 406.2±5.0 cm3

Click to predict properties on the Chemicalize site


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