input word = C00013194

Metabolite InformationStructural formula
Name O6-Deacetylwilforine
Wilforzine
((8alpha)-8-(Acetyloxy)-O2-benzoyl-O2,O6-dideacetyl-8-deoxoevonimine
Formula C41H47NO17
Mw 825.28439909
CAS RN 37239-46-6
C_ID C00013194 ,
InChIKey KFDGOKBQZFYGJQ-UHFFFAOYNA-N
InChICode InChI=1S/C41H47NO17/c1-20-15-16-27-26(14-11-17-42-27)37(50)53-18-38(6)28-29(54-22(3)44)33(55-23(4)45)40(19-52-21(2)43)34(56-24(5)46)30(57-36(49)25-12-9-8-10-13-25)32(58-35(20)48)39(7,51)41(40,59-38)31(28)47/h8-14,17,20,28-34,47,51H,15-16,18-19H2,1-7H3/t20-,28-,29+,30-,31+,32-,33+,34+,38-,39-,40-,41+/m0/s1
SMILES CC(=O)OCC12C(OC(C)=O)C(OC(C)=O)C3C(O)C14OC3(C)COC(=O)c1cccnc1CCC(C)C(=O)OC(C(OC(=O)c1ccccc1)C2OC(C)=O)C4(C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
zoom in



OrganismTripterygium wilfordii
ReferenceBeroza,J.Am.Chem.Soc.,73,(1951),3656

Beroza,J.Am.Chem.Soc.,75,(1953),2136