Deoxyxeniolide B

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name (4e,4as,7e,11ar)-7-methyl-11-methylene-4-(4-methylpent-3-enylidene)-4a,5,6,9,10,11a-hexahydrocyclonona[c]pyran-1-one
Molecular Mass 300.435 g·mol−1
Heat of Formation -302.8 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 398.49 Å 3
Surface Area 300.43 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4e,9r,13e)-4-methyl-8-methylene-13-(4-methylpent-3-enylidene)-11-oxabicyclo[7.4.0]tridec-4-en-10-one
  • (1s,4e,9r,13e)-4-methyl-8-methylidene-13-(4-methylpent-3-enylidene)-11-oxabicyclo[7.4.0]tridec-4-en-10-one
InChIKey XNRBKWSISMUNFK-GEUXUOHFSA-N
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