(3β,22Alpha)-3,24-Dihydroxy-22,29-Epoxyoleana-11,13(18)-Dien-29-One

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Properties Simple | Detailed

Formula C30H40O4
IUPAC Name (3beta,22alpha)-3,24-dihydroxy-22,29-epoxyoleana-11,13(18)-dien-29-one
Molecular Mass 464.636 g·mol−1
Heat of Formation -881.8 ± 16.7 kJ·mol−1
Dipole Moment 4.53 ± 1.08 D
Volume 580.99 Å 3
Surface Area 415.62 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,4beta,20beta,22beta)-3,22,23-trihydroxyoleana-11,13(18)-dien-29-oic acid gamma-lactone
  • 3,22,23-trihydroxyoleana-11,13(18)-dien-29-oic acid gamma-lactone, (3beta,4beta,20beta,22beta)-
  • oleana-11,13(18)-dien-29-oic acid, 3,22,23-trihydroxy-, gamma-lactone, (3beta,4beta,20beta,22beta)-
  • uralenolide
CAS Number(s)
  • 111150-27-7
InChIKey RIARKSMMKCXBML-MTKVKGGCSA-N
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