(1R)-2-[(13α,14Beta)-13-Formyl-8-Methylpodocarpan-14-Yl]-1-[(2R)-2-Hydroxy-5-Oxo-2,5-Dihydro-3-Furanyl]Ethyl Acetate

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Properties Simple | Detailed

Formula C27H40O6
IUPAC Name [(1r)-2-[(1r,2s,4as,4bs,8as,10as)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1h-phenanthren-1-yl]-1-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]ethyl] acetate
Molecular Mass 460.603 g·mol−1
Heat of Formation -1192.4 ± 16.7 kJ·mol−1
Dipole Moment 6.01 ± 1.08 D
Volume 572.78 Å 3
Surface Area 427.27 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-2-[(1r,2s,4as,4bs,8as,10as)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1h-phenanthren-1-yl]-1-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]ethyl] acetate
  • [(1r)-2-[(1r,2s,4as,4bs,8as,10as)-2-methanoyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1h-phenanthren-1-yl]-1-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]ethyl] ethanoate
  • acetic acid [(1r)-2-[(1r,2s,4as,4bs,8as,10as)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1h-phenanthren-1-yl]-1-[(2r)-2-hydroxy-5-keto-2h-furan-3-yl]ethyl] ester
  • acetic acid [(1r)-2-[(1r,2s,4as,4bs,8as,10as)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1h-phenanthren-1-yl]-1-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]ethyl] ester
  • d(15),24-dinor-13,17-secochol-20(22)-en-23-oic acid, 17-(acetyloxy)-21,21-dihydroxy-4,4,8-trimethyl-18-oxo-, gamma-lactone, (5alpha,13alpha,17r,21r)-
  • luffolide
CAS Number(s)
  • 121449-94-3
InChIKey QPTVAYUFYIWGFW-QRDIJWGLSA-N
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