ChemSpider 2D Image | Acetoxolone | C32H48O5

Acetoxolone

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID85123
  • defined stereocentres - 9 of 9 defined stereocentres


More details:



Featured data source



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

(3b,20b)-3-(Acetyloxy)-11-oxoolean-12-en-29-oic acid
(3β)-3-(acetyloxy)-11-oxoolean-12-en-30-oic acid
(3β)-3-Acetoxy-11-oxoolean-12-en-30-oic acid [ACD/IUPAC Name]
(3β)-3-Acetoxy-11-oxoolean-12-en-30-säure [German] [ACD/IUPAC Name]
249-815-5 [EINECS]
3b-Hydroxy-11-oxoolean-12-en-30-oic Acid Acetate
3-O-Acetyl-18b-glycyrrhetic Acid
3-O-Acetyl-18b-glycyrrhetinic acid
6277-14-1 [RN]
Acetoxolone [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 35349 [DBID]
NSC35349 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 597.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 183.1±23.6 °C
Index of Refraction: 1.551
Molar Refractivity: 143.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 29917.58
ACD/KOC (pH 5.5): 31769.99
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 474.23
ACD/KOC (pH 7.4): 503.59
Polar Surface Area: 81 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

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