β-Boswellic Acid

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Formula C30H48O3
IUPAC Name (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14br)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picene-4-carboxylic acid
Molecular Mass 456.700 g·mol−1
Heat of Formation -896.6 ± 16.7 kJ·mol−1
Dipole Moment 1.75 ± 1.08 D
Volume 585.37 Å 3
Surface Area 420.06 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 4.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14br)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picene-4-carboxylic acid
  • boswellic acid
  • urs-12-en-23-oic acid, 3-hydroxy-, (3alpha,4beta)-
CAS Number(s)
  • 631-69-6
InChIKey NBGQZFQREPIKMG-PONOSELZSA-N
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