(1β,2Alpha,6Alpha,11Alpha,12Alpha)-1,2,11,12-Tetrahydroxy-16-Oxo-11,20-Epoxypicrasa-3,13(21)-Dien-6-Yl 3-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C25H32O9
IUPAC Name 3,8-bis(2-hydroxyethynyl)-7-methyl-4-methylene-benzo[f]benzofuran-5,6,9-trione; formaldehyde; prop-1-yn-1-ol
Molecular Mass 476.516 g·mol−1
Heat of Formation -1557.9 ± 16.7 kJ·mol−1
Dipole Moment 5.20 ± 1.08 D
Volume 539.27 Å 3
Surface Area 412.34 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
Synonyms
  • 13,18-dehydro-6alpha-senecioyloxychaparrin
  • 13,18-dsoc
  • picrasa-3,13(21)-dien-16-one, 11,20-epoxy-1,2,11,12-trihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,2alpha,6alpha,11beta,12alpha)-
CAS Number(s)
  • 103839-22-1
InChIKey UDYDQIYSNNAQSU-YSSSMICESA-N
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