Betulinic Acid

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Properties Simple | Detailed

Formula C30H48O3
IUPAC Name (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(1-methylvinyl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
Molecular Mass 456.700 g·mol−1
Heat of Formation 237.3 ± 16.7 kJ·mol−1
Dipole Moment 14.74 ± 1.08 D
Volume 574.75 Å 3
Surface Area 410.2 Å 2
HOMO Energy -7.78 ± 0.55 eV
LUMO Energy -2.58 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic acid
  • 3-hydroxylup-20(29)-en-28-oic acid
  • 3beta-hydroxy-20(29)-lupaene-28-oic acid
  • bpbio1_000412
  • lup-20(29)-en-28-oic acid, 3-hydroxy-, (3beta)-
  • lup-20(29)-en-28-oic acid, 3beta-hydroxy- (8ci)
  • mairin
  • rl9-080
  • smp2_000205
CAS Number(s)
  • 472-15-1
InChIKey QGJZLNKBHJESQX-FZFNOLFKSA-N
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