(2S,3R,3'R,4'R)-3',8-Dihydroxy-3,4',5-Trimethyl-3,4,4',5'-Tetrahydro-3'H,7H-Spiro[Cyclohepta[B]Pyran-2,2'-Furan]-7-One

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Formula C16H20O5
IUPAC Name (2s,3r,3'r,4'r)-3',8-dihydroxy-3,4',5-trimethyl-spiro[3,4-dihydrocyclohepta[b]pyran-2,2'-tetrahydrofuran]-7-one
Molecular Mass 292.327 g·mol−1
Heat of Formation -788.9 ± 16.7 kJ·mol−1
Dipole Moment 3.89 ± 1.08 D
Volume 342.67 Å 3
Surface Area 294.11 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,3'r,4'r)-3',8-dihydroxy-3,4',5-trimethyl-7-spiro[3,4-dihydrocyclohepta[e]pyran-2,2'-tetrahydrofuran]one
  • (2s,3r,3'r,4'r)-3',8-dihydroxy-3,4',5-trimethyl-spiro[3,4-dihydrocyclohepta[e]pyran-2,2'-oxolane]-7-one
  • (2s,3r,3'r,4'r)-3',8-dihydroxy-3,4',5-trimethyl-spiro[3,4-dihydrocyclohepta[e]pyran-2,2'-tetrahydrofuran]-7-one
  • (2s,3r,3'r,4'r)-3',8-dihydroxy-3,4',5-trimethylspiro[3,4-dihydrocyclohepta[e]pyran-2,2'-oxolane]-7-one
InChIKey PLRNIDHEWWILCN-HKBFDHSMSA-N
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