Esulatin B

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Formula C30H40O12
IUPAC Name [(1r,2r,3ar,5r,6e,11r,13r,13as)-1,2,3a,13-tetraacetoxy-2,5,8,8-tetramethyl-12-methylene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1h-cyclopenta[12]annulen-11-yl] acetate
Molecular Mass 592.631 g·mol−1
Heat of Formation -2303.9 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 699.91 Å 3
Surface Area 469.99 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 3.31 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2r,4r,8e,10r,12r,14r,15r)-2,4,14,15-tetraacetoxy-7,7,10,14-tetramethyl-3-methylene-6,11-dioxo-12-bicyclo[10.3.0]pentadec-8-enyl] acetate
  • [(1s,2r,4r,8e,10r,12r,14r,15r)-2,4,14,15-tetraacetyloxy-7,7,10,14-tetramethyl-3-methylidene-6,11-dioxo-12-bicyclo[10.3.0]pentadec-8-enyl] ethanoate
  • acetic acid [(1s,2r,4r,8e,10r,12r,14r,15r)-2,4,14,15-tetraacetoxy-6,11-diketo-7,7,10,14-tetramethyl-3-methylene-12-bicyclo[10.3.0]pentadec-8-enyl] ester
  • acetic acid [(1s,2r,4r,8e,10r,12r,14r,15r)-2,4,14,15-tetraacetoxy-7,7,10,14-tetramethyl-3-methylene-6,11-dioxo-12-bicyclo[10.3.0]pentadec-8-enyl] ester
InChIKey DHHVTLZJOAQUPG-HZGNIPQVSA-N
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