22-Epi-Hippuristanol

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Formula C28H46O5
IUPAC Name (1s,2s,3's,4s,6s,7r,8r,9s,11s,12s,13s,16r,18s)-2',2',3',7,9,13-hexamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,5'-tetrahydrofuran]-7,11,16-triol
Molecular Mass 462.662 g·mol−1
Heat of Formation -1239.6 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 582.99 Å 3
Surface Area 434.47 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • desacetoxyhippurin 1
  • desacetoxyhippurin-1 (b710962k323)
InChIKey HPHXKNOXVBFETI-FELJEYOCSA-N
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Elements H C O