(3α)-3,19,24-Trihydroxyurs-12-En-28-Oic Acid

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Formula C30H48O5
IUPAC Name (1r,2r,4as,6ar,6as,6br,8ar,9s,10r,12ar,14bs)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 488.699 g·mol−1
Heat of Formation -1227.6 ± 16.7 kJ·mol−1
Dipole Moment 4.83 ± 1.08 D
Volume 603.72 Å 3
Surface Area 426.83 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 4.14 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4as,6ar,6as,6br,8ar,9s,10r,12ar,14bs)-1,10-dihydroxy-1,2,6a,6b,9,12a-hexamethyl-9-methylol-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • barbinervic acid
  • urs-12-en-28-oic acid, 3,19,23-trihydroxy-, (3alpha,4beta)-
CAS Number(s)
  • 64199-78-6
InChIKey YLHQFGOOMKJFLP-JGLQYCRZSA-N
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