[(1S,2R,4R,8R,10R,12S,14R)-14-Hydroxy-7,11-Bis(Methylene)-6-Oxo-5,13,15-Trioxatetracyclo[10.2.1.0~2,10~.0~4,8~]Pentadec-2-Yl]Methyl Acetate

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Properties Simple | Detailed

Formula C17H20O7
IUPAC Name [(1s,2r,4r,8r,10r,12s,14r)-14-hydroxy-7,11-bis(methylene)-6-oxo-5,13,15-trioxatetracyclo[10.2.1.0 2,10 .0 4,8 ]pentadec-2-yl]methyl acetate
Molecular Mass 336.337 g·mol−1
Heat of Formation -1120.4 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 379.43 Å 3
Surface Area 312.11 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 6,9-epoxyfuro(2,3-h)(3)benzoxepin-2(3h)-one, 9a-((acetyloxy)methyl)decahydro-8-hydroxy-3,5-bis(methylene)-, (3ar-(3aalpha,4aalpha,6beta,8beta,9beta,9abeta,10aalpha))-
  • micordilin
CAS Number(s)
  • 61701-92-6
InChIKey KIMFLFYOUFXUAC-XLOUWHCTSA-N
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