(1S,2R,11S,13R)-6,8-Dihydroxy-2,14,14-Trimethyl-7-(3-Methylbutanoyl)-3-Oxatetracyclo[11.1.1.0~2,11~.0~4,9~]Pentadeca-4,6,8-Triene-5-Carbaldehyde

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Formula C23H30O5
IUPAC Name (1s,2r,11s,13r)-6,8-dihydroxy-2,14,14-trimethyl-7-(3-methylbutanoyl)-3-oxatetracyclo[11.1.1.0 2,11 .0 4,9 ]pentadeca-4,6,8-triene-5-carbaldehyde
Molecular Mass 386.481 g·mol−1
Heat of Formation -874.7 ± 16.7 kJ·mol−1
Dipole Moment 2.06 ± 1.08 D
Volume 463.5 Å 3
Surface Area 376.64 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2alpha,4alpha,4abeta,9abeta)-(+)-2,3,4,4a,9,9a-hexahydro-6,8-dihydroxy-3,3,4a-trimethyl-7-(3-methyl-1-oxobutyl)-2,4-methano-1h-xanthene-5-carboxaldehyde
  • 2,4-methano-1h-xanthene-5-carboxaldehyde, 2,3,4,4a,9,9a-hexahydro-6,8-dihydroxy-3,3,4a-trimethyl-7-(3-methyl-1-oxobutyl)-, (2alpha,4alpha,4abeta,9abeta)-(+)-
CAS Number(s)
  • 130288-57-2
InChIKey XPIQRNXFCGGGHZ-ZPZFDEQOSA-N
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