ChemSpider 2D Image | (3β)-3-(Acetyloxy)-20-oxo-30-norlupan-28-oic acid | C31H48O5

(3β)-3-(Acetyloxy)-20-oxo-30-norlupan-28-oic acid

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID76791602

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-Acetoxy-1-acetyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-carbonsäure [German] [ACD/IUPAC Name]
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-Acetoxy-1-acetyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid [ACD/IUPAC Name]
(3β)-3-(Acetyloxy)-20-oxo-30-norlupan-28-oic acid
26581-14-6 [RN]
3aH-Cyclopenta[a]chrysene-3a-carboxylic acid, 1-acetyl-9-(acetyloxy)eicosahydro-5a,5b,8,8,11a-pentamethyl-, (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)- [ACD/Index Name]
Acide (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-acétoxy-1-acétyl-5a,5b,8,8,11a-pentaméthylicosahydro-3aH-cyclopenta[a]chrysène-3a-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 177.2±16.7 °C
Index of Refraction: 1.543
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 8714.17
ACD/KOC (pH 5.5): 11087.59
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 138.62
ACD/KOC (pH 7.4): 176.37
Polar Surface Area: 81 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 440.9±5.0 cm3

Click to predict properties on the Chemicalize site


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