(3β)-3-Acetoxyolean-12-En-28-Oic Acid

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Properties Simple | Detailed

Formula C32H50O4
IUPAC Name (4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 498.737 g·mol−1
Heat of Formation -1065.3 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 635.05 Å 3
Surface Area 459.82 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-acetoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • (4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • 3-o-acetyloleanolic acid
  • olean-12-en-28-oic acid, 3-(acetyloxy)-, (3beta)-
  • oleanolic acid 3-acetate
  • oleanolic acid deriv.
CAS Number(s)
  • 118122-15-9
  • 137867-41-5
  • 4339-72-4
  • 87038-54-8
InChIKey RIXNFYQZWDGQAE-DFHVBEEKSA-N
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