(1α,2α,3α,7α,11α,12α,13α)-1,7-Diacetoxy-2,8,13-Trihydroxy-13-Methyl-14-Oxo-12-Vinylpodocarpane-3,11-Diyl Dibenzoate

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Properties Simple | Detailed

Formula C38H44O12
IUPAC Name carbon dioxide; (3r)-8,12-diethynyl-9-(2-hydroxyethynyl)-7,10-dimethylene-1-oxaspiro[2.9]dodecane-4,5,6,11-tetrone; formaldehyde
Molecular Mass 692.749 g·mol−1
Heat of Formation -2074.7 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 803.62 Å 3
Surface Area 507.97 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3s,4r,4as,4bs,5r,6s,7s,8as,10r,10ar)-5,10-diacetoxy-7-(benzoyloxy)-2,6,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-3-vinyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-4-yl] benzoate
  • [(2s,3s,4r,4as,4bs,5r,6s,7s,8as,10r,10ar)-5,10-diacetyloxy-3-ethenyl-2,6,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-7-phenylcarbonyloxy-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-4-yl] benzoate
  • [(2s,3s,4r,4as,4bs,5r,6s,7s,8as,10r,10ar)-5,10-diacetyloxy-7-(benzoyloxy)-3-ethenyl-2,6,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-4-yl] benzoate
  • benzoic acid [(2s,3s,4r,4as,4bs,5r,6s,7s,8as,10r,10ar)-5,10-diacetoxy-2,6,10a-trihydroxy-2,4b,8,8-tetramethyl-1-oxo-7-(oxo-phenylmethoxy)-3-vinyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-4-yl] ester
  • benzoic acid [(2s,3s,4r,4as,4bs,5r,6s,7s,8as,10r,10ar)-5,10-diacetoxy-7-(benzoyloxy)-2,6,10a-trihydroxy-1-keto-2,4b,8,8-tetramethyl-3-vinyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-4-yl] ester
InChIKey UIOAMSFHGBMZTF-MYFRPNQSSA-N
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