(3α)-3-Hydroxy-21-Oxooleana-11,13(18)-Dien-28-Oic Acid

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Properties Simple | Detailed

Formula C30H44O4
IUPAC Name (4ar,6ar,6as,6br,8ar,10r,12as)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12-decahydro-1h-picene-4a-carboxylic acid
Molecular Mass 468.668 g·mol−1
Heat of Formation -934.5 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 587.63 Å 3
Surface Area 421.87 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,6ar,6as,6br,8ar,10r,12as)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,6a,7,8,8a,10,11,12-decahydro-1h-picene-4a-carboxylic acid
  • (4ar,6ar,6as,6br,8ar,10r,12as)-10-hydroxy-3-keto-2,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,10,11,12-decahydro-1h-picene-4a-carboxylic acid
  • oleana-11,13(18)-dien-28-oic acid, 3-hydroxy-21-oxo-, (3alpha)-
  • papyriogenin c
CAS Number(s)
  • 72933-75-6
InChIKey AWCDPINIVCMMLX-NINJPWCBSA-N
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