ChemSpider 2D Image | (3beta)-Lup-20(29)-ene-3,23,28-triol | C30H50O3

(3β)-Lup-20(29)-ene-3,23,28-triol

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID33823856

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β)-Lup-20(29)-en-3,23,28-triol [German] [ACD/IUPAC Name]
(3β)-Lup-20(29)-ene-3,23,28-triol [ACD/IUPAC Name]
(3β)-Lup-20(29)-ène-3,23,28-triol [French] [ACD/IUPAC Name]
Lup-20(29)-ene-3,23,28-triol, (3β)- [ACD/Index Name]
(1R,3aS,5aR,5bR,7aR,8R,9S,11aR,11bR,13aR,13bR)-3a,8-bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
[84414-40-4] [RN]
23-Hydroxybetulin
84414-40-4 [RN]
MFCD26406167

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

Density: 1.1±0.1 g/cm3
Boiling Point: 557.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 227.5±15.0 °C
Index of Refraction: 1.534
Molar Refractivity: 134.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 41558.60
ACD/KOC (pH 5.5): 70407.75
ACD/LogD (pH 7.4): 6.38
ACD/BCF (pH 7.4): 41558.60
ACD/KOC (pH 7.4): 70407.75
Polar Surface Area: 61 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 433.7±3.0 cm3

Click to predict properties on the Chemicalize site


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