Betulin

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Properties Simple | Detailed

Formula C30H50O2
IUPAC Name (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-3a-(hydroxymethyl)-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]chrysen-9-ol
Molecular Mass 442.717 g·mol−1
Heat of Formation -289.2 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 578.33 Å 3
Surface Area 414.32 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (3.beta.)-lup-20(29)-ene-3,28-diol
  • acon1_000091
  • betuline
  • betulinic alcohol
  • betulinol
  • bpbio1_001165
  • lup-20(29)-ene-3,28-diol, (3beta)-
  • lup-20(29)-ene-3beta,28-diol
  • lup-20(30)-ene-3beta,28-diol
  • megxp0_001726
  • messagenin
  • trochol
CAS Number(s)
  • 18211-63-7
  • 473-98-3
InChIKey FVWJYYTZTCVBKE-ROUWMTJPSA-N
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