(2α,3Beta,6Beta)-2,3,6,23-Tetrahydroxyurs-12-En-28-Oic Acid

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Formula C30H48O6
IUPAC Name (1s,2r,4as,6ar,6as,6br,8r,8ar,9r,10r,11r,12ar,14bs)-8,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
Molecular Mass 504.699 g·mol−1
Heat of Formation -1394.8 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 618.63 Å 3
Surface Area 438.15 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,4as,6ar,6as,6br,8r,8ar,9r,10r,11r,12ar,14bs)-8,10,11-trihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid
  • madecassic acid
  • urs-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2alpha,3beta,4alpha,6beta)-
CAS Number(s)
  • 125265-67-0
  • 18449-41-7
InChIKey PRAUVHZJPXOEIF-AOLYGAPISA-N
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