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

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Properties Simple | Detailed

Formula C30H48O5
IUPAC Name (1r,2r,4as,6ar,6as,6br,8ar,10s,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 -1230.8 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 605.97 Å 3
Surface Area 429.16 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 4.21 ± eV
Point Group Symmetry C1
Synonyms
  • urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2.alpha.,3.alpha.)-
  • urs-12-en-28-oic acid, 2,3,19-trihydroxy-, (2.alpha.,3alpha.)-
CAS Number(s)
  • 53155-25-2
InChIKey OXVUXGFZHDKYLS-QUFHAEKXSA-N
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