(3α)-3-Acetoxy-11-Oxours-12-En-24-Oic Acid

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Properties Simple | Detailed

Formula C32H48O5
IUPAC Name (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14bs)-3-acetoxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
Molecular Mass 512.721 g·mol−1
Heat of Formation -1217.9 ± 16.7 kJ·mol−1
Dipole Moment 8.19 ± 1.08 D
Volume 639.9 Å 3
Surface Area 459.17 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14bs)-3-acetoxy-14-keto-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
  • (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14bs)-3-acetoxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
  • (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14bs)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
  • 3-o-acetyl-11-keto-beta-boswellic acid
  • acetyl-11-keto-beta-boswellic acid, <i>boswellia serrata
  • akbetaba
  • curator_000001
InChIKey HMMGKOVEOFBCAU-BCDBGHSCSA-N
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