(2α,3Beta)-2,3,23-Trihydroxyolean-12-En-28-Oic Acid

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Properties Simple | Detailed

Formula C30H48O5
IUPAC Name (4as,6ar,6as,6br,8ar,9r,10r,11r,12ar,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 488.699 g·mol−1
Heat of Formation -1241.8 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 608.86 Å 3
Surface Area 435.81 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6ar,6as,6br,8ar,9r,10r,11r,12ar,14bs)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • 2,3,23-trihydroxyolean-12-en-28-oic acid
  • arjunolic acid
  • olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2.alpha.,3.beta.,4.alpha.)-
  • olean-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4alpha)-
CAS Number(s)
  • 465-00-9
InChIKey RWNHLTKFBKYDOJ-DDHMHSPCSA-N
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