(1β,11Alpha,12Alpha,15β)-1,11,12-Trihydroxy-2,16-Dioxo-11,20-Epoxypicras-3-En-15-Yl Acetate

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Formula C22H28O9
IUPAC Name (1beta,11alpha,12alpha,15beta)-1,11,12-trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl acetate
Molecular Mass 436.452 g·mol−1
Heat of Formation -1604.2 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 474.14 Å 3
Surface Area 354.44 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,11c-beta-(epoxymethano)-phenanthro(10,1-bc)pyran-5,10(3h,6a-beta-h)-dione, 1,3a-beta,4,7,7a-alpha,11,11a,11b-octahydro-1-alpha,2-alpha,4-beta,11-beta-tetrahydroxy-3-alpha,18,11a-beta-trimethyl-, 4-acetate
  • acetyl-glaucarubulone
  • picras-3-ene-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy- (9ci)
InChIKey OFHVBIQKCNMHKC-FJSLBGAUSA-N
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