α-Amyrin Acetate

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Properties Simple | Detailed

Formula C32H52O2
IUPAC Name [(3s,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14br)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-3-yl] acetate
Molecular Mass 468.754 g·mol−1
Heat of Formation 728.8 ± 16.7 kJ·mol−1
Dipole Moment 30.58 ± 1.08 D
Volume 614.95 Å 3
Surface Area 445.13 Å 2
HOMO Energy -4.47 ± 0.55 eV
LUMO Energy -3.42 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14br)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-3-yl] ethanoate
  • acetic acid [(3s,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14br)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picen-3-yl] ester
  • alpha-amyrenyl acetate
  • amyrin acetate
  • urs-12-en-3-ol, acetate, (3beta)- (9ci)
  • urs-12-en-3beta-ol(acetate)
  • urs-12-en-3beta-ol, acetate (8ci)
InChIKey UDXDFWBZZQHDRO-NSTYLNEOSA-N
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