(2β,3β)-2,3,23-Trihydroxyolean-12-Ene-28,30-Dioic Acid

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Formula C30H46O7
IUPAC Name (2s,4ar,6ar,6as,6br,8ar,9r,10r,11s,12ar,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
Molecular Mass 518.682 g·mol−1
Heat of Formation -1578.1 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 623.73 Å 3
Surface Area 444.17 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2beta,3beta,4alpha,20 beta)-2,3,23-trihydroxy-olean-12-ene-28,29-dioic acid
  • (2s,4ar,6ar,6as,6br,8ar,9r,10r,11s,12ar,14bs)-10,11-dihydroxy-2,6a,6b,9,12a-pentamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
  • jaligonic acid
InChIKey OWODMVTTWPVWQA-COFJZONBSA-N
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