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Substance Name: Tripbromolide
RN: 137149-64-5
InChIKey: TUMFKARHYGRRPA-LZVGCMTRSA-N

Note

  • From Trypterygium wilfordii.

Molecular Formula

  • C20-H25-Br-O6

Molecular Weight

  • 441.3155
 
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Names and Synonyms

Name of Substance

  • Tripbromolide

Synonym

  • Tripbromide

Systematic Name

  • Triptolide, 12-bromo-12,13-deepoxy-13-hydroxy-, (12beta)-

Registry Numbers

CAS Registry Number

  • 137149-64-5

System Generated Number

  • 0137149645

Structure Descriptors

InChI

1S/C20H25BrO6/c1-8(2)18(24)13(21)14-20(27-14)17(3)5-4-9-10(7-25-15(9)22)11(17)6-12-19(20,26-12)16(18)23/h8,11-14,16,23-24H,4-7H2,1-3H3/t11-,12-,13+,14-,16+,17-,18-,19+,20+/m0/s1

InChIKey

TUMFKARHYGRRPA-LZVGCMTRSA-N

Smiles

CC(C)[C@@]1([C@@H]([C@H]2[C@@]3(O2)[C@]4(CCC5=C([C@@H]4C[C@H]6[C@]3([C@@H]1O)O6)COC5=O)C)Br)O