ChemSpider 2D Image | (3beta,13alpha)-3,23-Dihydroxylup-20(29)-en-28-oic acid | C30H48O4

(3β,13α)-3,23-Dihydroxylup-20(29)-en-28-oic acid

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID29304935

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,13α)-3,23-Dihydroxylup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β,13α)-3,23-Dihydroxylup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,13α)-3,23-dihydroxylup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3,23-dihydroxy-, (3β,13α)- [ACD/Index Name]
[85999-40-2] [RN]
23-Hydroxybetulinic Acid
4-Isobutoxyisophthalic acid [ACD/IUPAC Name]
85999-40-2 [RN]
Anemosapogenin
CID 24721119
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 585.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.4±6.0 kJ/mol
Flash Point: 322.1±19.7 °C
Index of Refraction: 1.543
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.29
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 5458.91
ACD/KOC (pH 5.5): 8868.47
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 85.81
ACD/KOC (pH 7.4): 139.41
Polar Surface Area: 78 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 427.4±3.0 cm3

Click to predict properties on the Chemicalize site


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