ChemSpider 2D Image | Methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3,15-dihydroxy-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-diene-14-carboxylate | C26H38O5

Methyl (3β,5β,8α,9β,10α,13α)-3,15-dihydroxy-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-diene-14-carboxylate

  • Molecular FormulaC26H38O5
  • Average mass430.577 Da
  • Monoisotopic mass430.271912 Da
  • ChemSpider ID76963431

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β,5β,8α,9β,10α,13α)-3,15-Dihydroxy-4,4,8,12,16-pentaméthyl-17-oxoandrosta-11,15-diène-14-carboxylate de méthyle [French] [ACD/IUPAC Name]
Androsta-11,15-diene-14-carboxylic acid, 3,15-dihydroxy-4,4,8,12,16-pentamethyl-17-oxo-, methyl ester, (3β,5β,8α,9β,10α,13α)- [ACD/Index Name]
Methyl (3β,5β,8α,9β,10α,13α)-3,15-dihydroxy-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-diene-14-carboxylate [ACD/IUPAC Name]
Methyl-(3β,5β,8α,9β,10α,13α)-3,15-dihydroxy-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-dien-14-carboxylat [German] [ACD/IUPAC Name]
(-)-andrastin F
andrastin F
methyl 3β,15-dihydroxy-4,4,8α,12,16-pentamethyl-17-oxo-5β,9β,10α,13α-androsta-11,15-diene-14-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 520.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.3±6.0 kJ/mol
Flash Point: 166.0±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 418.25
ACD/KOC (pH 5.5): 1317.04
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 7.24
ACD/KOC (pH 7.4): 22.78
Polar Surface Area: 84 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 370.7±3.0 cm3

Click to predict properties on the Chemicalize site


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