(1As,1Bs,6Bs,7As,8As,9R,10R,11R,11Ar)-11-Chloro-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 C20H25ClO6
IUPAC Name (1as,1bs,6bs,7as,8as,9r,10r,11r,11ar)-11-chloro-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 396.862 g·mol−1
Heat of Formation -892.3 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 433.96 Å 3
Surface Area 336.84 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • bisoxireno(4b,5:8a,9)phenanthro(1,2-c)furan-4(2h)-one, 11-chloro-1b,3,6,6b,7,7a,9,10,11,11a-decahydro-9,10-dihydroxy-1b-methyl-10-(1-methylethyl)-, (1as,1bs,6br,7as,8as,9r,10r,11r,11ar)-
  • tripchlorolide
  • triptolide 12,13-chlorhydrin
  • triptolide chlorhydrin
CAS Number(s)
  • 132368-08-2
InChIKey OIMACDABKWJVSQ-LZVGCMTRSA-N
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