(7α,11α,12α,13α)-2,7-Diacetoxy-8,13-Dihydroxy-13-Methyl-3,14-Dioxo-12-Vinylpodocarp-1-En-11-Yl Benzoate

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Properties Simple | Detailed

Formula C31H36O10
IUPAC Name [(2s,3s,4r,4as,4br,8ar,10r,10ar)-6,10-di(acetyloxy)-2,10a-dihydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3-vinyl-3,4,4a,8a,9,10-hexahydrophenanthren-4-yl] benzoate
Molecular Mass 568.612 g·mol−1
Heat of Formation 946.6 ± 16.7 kJ·mol−1
Dipole Moment 2.28 ± 1.08 D
Volume 650.28 Å 3
Surface Area 463.33 Å 2
Point Group Symmetry C1
Synonyms
  • [(2s,3s,4r,4as,4br,8ar,10r,10ar)-6,10-diacetoxy-2,10a-dihydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3-vinyl-3,4,4a,8a,9,10-hexahydrophenanthren-4-yl] benzoate
  • [(2s,3s,4r,4as,4br,8ar,10r,10ar)-6,10-diacetyloxy-3-ethenyl-2,10a-dihydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3,4,4a,8a,9,10-hexahydrophenanthren-4-yl] benzoate
  • benzoic acid [(2s,3s,4r,4as,4br,8ar,10r,10ar)-6,10-diacetoxy-2,10a-dihydroxy-1,7-diketo-2,4b,8,8-tetramethyl-3-vinyl-3,4,4a,8a,9,10-hexahydrophenanthren-4-yl] ester
  • benzoic acid [(2s,3s,4r,4as,4br,8ar,10r,10ar)-6,10-diacetoxy-2,10a-dihydroxy-2,4b,8,8-tetramethyl-1,7-dioxo-3-vinyl-3,4,4a,8a,9,10-hexahydrophenanthren-4-yl] ester
InChIKey XBLOXIMBZRFVEK-KPKFSDCZSA-N
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