(2β,3β)-2,3,23-Trihydroxyoleana-5,12-Dien-28-Oic Acid

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Properties Simple | Detailed

Formula C30H46O5
IUPAC Name (4as,6as,6as,6br,9r,10r,11s,12ar,14bs)-2,2,6a,6b,9,12a-hexamethyl-10,11-dioxido-9-(oxidomethyl)-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylate
Molecular Mass 486.683 g·mol−1
Heat of Formation -1135.1 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 609.27 Å 3
Surface Area 435.64 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6as,6as,6br,9r,10r,11s,12ar,14bs)-10,11-dihydroxy-2,2,6a,6b,9,12a-hexamethyl-9-methylol-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid
  • (4as,6as,6as,6br,9r,10r,11s,12ar,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid
  • bassic acid
  • oleana-5,12-dien-28-oic acid, 2,3,23-trihydroxy-, (2beta,3beta,4alpha)-
CAS Number(s)
  • 465-01-0
InChIKey FJGGNIPUSLFYJJ-QJTVMKANSA-N
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