(1As,1Bs,6Bs,7As,8As,9R,10R,11R,11Ar)-11-Bromo-9,10-Dihydroxy-10-Isopropyl-1B-Methyl-1B,3,6,6B,7,7A,9,10,11,11A-Decahydrobisoxireno[8A,9:4B,5]Phenanthro[1,2-C]Furan-4(2H)-One

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Formula C20H25BrO6
IUPAC Name (1as,1bs,6bs,7as,8as,9r,10r,11r,11ar)-11-bromo-9,10-dihydroxy-10-isopropyl-1b-methyl-1b,3,6,6b,7,7a,9,10,11,11a-decahydrobisoxireno[8a,9:4b,5]phenanthro[1,2-c]furan-4(2h)-one
Molecular Mass 441.313 g·mol−1
Heat of Formation -829.4 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 441.27 Å 3
Surface Area 340.41 Å 2
HOMO Energy -10.14 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • tripbromide
  • tripbromolide
  • triptolide, 12-bromo-12,13-deepoxy-13-hydroxy-, (12beta)-
CAS Number(s)
  • 137149-64-5
InChIKey TUMFKARHYGRRPA-LZVGCMTRSA-N
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Elements H C O Br