Juncenolide A

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Properties Simple | Detailed

Formula C25H33ClO10
IUPAC Name juncenolide a
Molecular Mass 528.977 g·mol−1
Heat of Formation -1893.9 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 649.71 Å 3
Surface Area 450.25 Å 2
HOMO Energy -10.17 ± 0.55 eV
LUMO Energy 3.29 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s,6s,7r,8r,9s,10s,11s,14s,17r)-6-chloro-11,20-epoxy-2-isobutyl-9,14-diacetoxy-8-hydroxybriaran-5(16)-en-18,7-olide
  • (1r,3ar,4s,8s,8ar,9s,12r,12as,13s,13ar)-9,13-bis(acetyloxy)-4-chloro-13a-hydroxy-1,8a-dimethyl-5-methylene-2-oxotetradecahydro-2h-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxiran]-8-yl rel-2-methylp
  • propanoic acid, 2-methyl-, (1r,3ar,4s,8s,8ar,9s,12r,12as,13s,13ar)-9,13-bis(acetyloxy)-4-chlorotetradecahydro-13a-hydroxy-1,8a-dimethyl-5-methylene-2-oxospiro[benzo[4,5]cyclodeca[1,2-b]furan-12(2h),2'
InChIKey QOXJMKFHEPATMO-HWXGTERJSA-N
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Elements H C O Cl