(3Bs,4As,5As,6R,6Ar,7As,7Bs,8As,8Bs)-6-Hydroxy-6A-[(2S)-1-Hydroxy-2-Propanyl]-8B-Methyl-3B,4,4A,6,6A,7A,7B,8B,9,10-Decahydrotrisoxireno[6,7:8A,9:4B,5]Phenanthro[1,2-C]Furan-1(3H)-One

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Formula C20H24O7
IUPAC Name (3bs,4as,5as,6r,6ar,7as,7bs,8as,8bs)-6-hydroxy-6a-[(2s)-1-hydroxy-2-propanyl]-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3h)-one
Molecular Mass 376.400 g·mol−1
Heat of Formation -841.2 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 420.81 Å 3
Surface Area 331.28 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • triptolide, 16-hydroxy-, (15s)-
CAS Number(s)
  • 139713-80-7
InChIKey HPTCYMNPHWXVLA-UBBHAYRHSA-N
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