(3β)-3-Acetoxyurs-12-En-28-Oic Acid

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Properties Simple | Detailed

Formula C32H50O4
IUPAC Name (1s,2r,4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-acetoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
Molecular Mass 498.737 g·mol−1
Heat of Formation -1073.0 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 637.97 Å 3
Surface Area 463.53 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 1.18 ± eV
Point Group Symmetry C1
Synonyms
  • acetyl ursolic acid
  • urs-12-en-28-oic acid, 3-(acetyloxy)-, (3beta)-
  • ursolic acid acetate
  • ursolic acid deriv.
CAS Number(s)
  • 7372-30-7
InChIKey PHFUCJXOLZAQNH-OTMOLZNZSA-N
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