(1S,4R,5S,6R,7R)-3-Allyl-4-Hydroxy-1-Methoxy-7-Methyl-6-(3,4,5-Trimethoxyphenyl)Bicyclo[3.2.1]Oct-2-En-8-One

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Properties Simple | Detailed

Formula C22H28O6
IUPAC Name (1s,2r,5s,6r,7r)-3-allyl-2-hydroxy-5-methoxy-6-methyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-3-en-8-one
Molecular Mass 388.454 g·mol−1
Heat of Formation -797.3 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 464.39 Å 3
Surface Area 362.85 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.92 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,5s,6r,7r)-2-hydroxy-5-methoxy-6-methyl-3-prop-2-enyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-3-en-8-one
  • (1s,2r,5s,6r,7r)-3-allyl-2-hydroxy-5-methoxy-6-methyl-7-(3,4,5-trimethoxyphenyl)-8-bicyclo[3.2.1]oct-3-enone
  • (1s,2r,5s,6r,7r)-3-allyl-2-hydroxy-5-methoxy-6-methyl-7-(3,4,5-trimethoxyphenyl)bicyclo[3.2.1]oct-3-en-8-one
CAS Number(s)
  • 74944-98-2
InChIKey NWXSUVZITFIXOL-SFFVMTGDSA-N
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