(6β,7β,13β,14Alpha)-5,7-Dihydroxy-13-(2-Methoxy-2-Oxoethyl)-14-Methyl-12-Oxopodocarpan-6-Yl (2E)-3-Phenylacrylate

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Properties Simple | Detailed

Formula C25H20O7
IUPAC Name [(1r,2s,4as,4br,8ar,9r,10r,10as)-8a,10-dihydroxy-2-(2-methoxy-2-oxoethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] (e)-3-phenylprop-2-enoate
Molecular Mass 432.422 g·mol−1
Heat of Formation -1316.8 ± 16.7 kJ·mol−1
Dipole Moment 9.20 ± 1.08 D
Volume 619.55 Å 3
Surface Area 471.92 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-phenylacrylic acid [(1r,2s,4as,4br,8ar,9r,10r,10as)-8a,10-dihydroxy-3-keto-2-(2-keto-2-methoxy-ethyl)-1,4b,8,8-tetramethyl-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] ester
  • (e)-3-phenylprop-2-enoic acid [(1r,2s,4as,4br,8ar,9r,10r,10as)-8a,10-dihydroxy-2-(2-methoxy-2-oxoethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] ester
  • 2-phenanthreneacetic acid, tetradecahydro-8a,10-dihydroxy-1,4b,8,8-tetramethyl-3-oxo-9-((1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1r-(1alpha,2beta,4aalpha,4bbeta,8aalpha,9beta(e),10beta,10abeta))-
  • [(1r,2s,4as,4br,8ar,9r,10r,10as)-8a,10-dihydroxy-2-(2-methoxy-2-oxo-ethyl)-1,4b,8,8-tetramethyl-3-oxo-1,2,4,4a,5,6,7,9,10,10a-decahydrophenanthren-9-yl] (e)-3-phenylprop-2-enoate
  • pulcherralpin
CAS Number(s)
  • 105389-29-5
InChIKey QDVSQQYDMLUPGR-OFYFIDOVSA-N
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