(3β)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}Lup-20(29)-En-28-Oic Acid

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Formula C39H54O6
IUPAC Name (1r,3as,5ar,5br,7ar,9s,11ar,11br,13ar,13br)-9-[(e)-3-(3,4-dioxidobenzene-2,5,6-triid-1-yl)prop-2-enoyl]oxy-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 618.842 g·mol−1
Heat of Formation 1402.1 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 734.63 Å 3
Surface Area 564.95 Å 2
Point Group Symmetry C1
Synonyms
  • lup-20(29)-en-28-oic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (3beta(e))-
  • pyracrenic acid
CAS Number(s)
  • 80832-44-6
InChIKey MNUNUJQYFJZRHQ-VZLLCJDWSA-N
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