Hecogenin Acetate

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Formula C29H44O5
IUPAC Name [(1r,2s,4s,5'r,6r,7s,8r,9s,12s,13s,16s,18s)-5',7,9,13-tetramethyl-10-oxo-spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-16-yl] acetate
Molecular Mass 472.657 g·mol−1
Heat of Formation 282.1 ± 16.7 kJ·mol−1
Dipole Moment 31.96 ± 1.08 D
Volume 587.42 Å 3
Surface Area 453.47 Å 2
HOMO Energy -4.53 ± 0.55 eV
LUMO Energy -3.67 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-hecogenin acetate
  • 12-oxo-5-alpha-spirostan-3-beta-yl acetate
  • spirostan-12-one, 3-(acetyloxy)-, (3beta,5alpha,25r)-
InChIKey CVKZWRTYHCDWTE-RSEFXUKDSA-N
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Elements H C O