Ursolic Acid

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Formula C30H48O3
IUPAC Name (1s,2r,4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-hydroxy-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 456.700 g·mol−1
Heat of Formation -879.2 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 589.36 Å 3
Surface Area 421.63 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 4.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta)-3-hydroxyurs-12-en-28-oic acid
  • 3beta-hydroxy-12-ursen-28-ic acid
  • 3beta-hydroxyurs-12-en-28-oic acid
  • bpbio1_000020
  • malol
  • prunol
  • tos-bb-0966
  • urs-12-en-28-oic acid, 3-hydroxy-, (3beta)-
  • urs-12-en-28-oic acid, 3beta-hydroxy- (8ci)
  • urson
CAS Number(s)
  • 77-52-1
  • 209545-05-1
InChIKey WCGUUGGRBIKTOS-GPOJBZKASA-N
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