ChemSpider 2D Image | 2alpha,3beta-dihydroxylup-20(29)-ene | C30H50O2

2α,3β-dihydroxylup-20(29)-ene

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID26335089

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2α,3β)-Lup-20(29)-en-2,3-diol [German] [ACD/IUPAC Name]
(2α,3β)-Lup-20(29)-ene-2,3-diol [ACD/IUPAC Name]
(2α,3β)-Lup-20(29)-ène-2,3-diol [French] [ACD/IUPAC Name]
2α,3β-dihydroxylup-20(29)-ene
Lup-20(29)-ene-2,3-diol, (2α,3β)- [ACD/Index Name]
(1R,3aR,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,10-diol
[61448-03-1] [RN]
2α,3bβ-lup-20(29)-ene-2,3-diol
61448-03-1 [RN]
lup-20(29)-ene-2??,3??-diol
More...
  • Miscellaneous

    • Chemical Class:

      A pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 2 and 3 (the 2<stereo>alpha</stereo>,3<stereo>beta</stereo> stereoisomer). It has been isolated from <ital> Juglans sinensis</ital>. ChEBI CHEBI:67954
      A pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 2 and 3 (the 2alpha,3beta stereoisomer). It has been isolated from ; Juglans sinensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67954
      A pentacyclic triterpenoid that is lup-20(29)-ene substituted by hydroxy groups at positions 2 and 3 (the 2alpha,3beta stereoisomer). It has been isolated from Juglans sinensis. ChEBI CHEBI:67954

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

Density: 1.0±0.1 g/cm3
Boiling Point: 504.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.1±6.0 kJ/mol
Flash Point: 201.4±17.2 °C
Index of Refraction: 1.527
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 8.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 846188.94
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 846188.94
Polar Surface Area: 40 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 433.5±3.0 cm3

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