(2α,3Beta)-2,3,19-Trihydroxyurs-12-En-28-Oic Acid

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Formula C30H48O5
IUPAC Name (1r,2r,4as,6ar,6as,6br,8ar,10r,11r,12ar,14bs)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 488.699 g·mol−1
Heat of Formation -1227.9 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 606.32 Å 3
Surface Area 429.83 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 4.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,19-trihydroxyurs-12-en-28-oic acid (2alpha,3beta)-
  • 2.alpha.,3.alpha.,19.alpha.-trihydroxyurs-12-en-28-oic acid
  • 2.alpha.,3.beta.,19.alpha.-trihydroxy-urs-12-en-28-oic acid
  • euscaphic acid
  • tormentic acid
  • urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2alpha,3beta)-
CAS Number(s)
  • 13850-16-3
InChIKey OXVUXGFZHDKYLS-BLIWDXROSA-N
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