(1R,3S,7Z,9S,12R,13S,15R)-13-Hydroxy-13-Isopropyl-3,7,12-Trimethyl-10,14,16-Trioxatetracyclo[7.5.1.1~3,6~.0~12,15~]Hexadeca-5,7-Diene-4,11-Dione

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Formula C19H24O6
IUPAC Name (1r,3s,7z,9s,12r,13s,15r)-13-hydroxy-13-isopropyl-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.1 3,6 .0 12,15 ]hexadeca-5,7-diene-4,11-dione
Molecular Mass 348.390 g·mol−1
Heat of Formation -905.6 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 404.81 Å 3
Surface Area 320.23 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 6,9-epoxy-2h-1,4-dioxacyclodeca(cd)pentalene-2,7(4ah)-dione, 2a,3,5,6,11a,11b-hexahydro-3-hydroxy-2a,6,10-trimethyl-3-(1-methylethyl)-, (2ar*,3s*,4ar*,6s*,11as*,11bs*)-(+)-
  • 6,9-epoxy-2h-1,4-dioxacyclodeca[cd]pentalene-2,7(6h)-dione, 2a,3,4a,5,11a,11b-hexahydro-3-hydroxy-2a,6,10-trimethyl-3-(1-methylethyl)-, (2ar,3s,4ar,6s,11as,11br)-
  • eremantholide
CAS Number(s)
  • 58030-93-6
InChIKey LOILTCBRRAVDAF-IFRGNVSBSA-N
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