input word = C00056246

Metabolite InformationStructural formula
Name Tripterygiumine R
Formula C28H33NO7
Mw 495.22570242
CAS RN 1616264-75-5
C_ID C00056246
InChIKey ADWARFHDUYEPTA-OEIRDJFFSA-N
InChICode InChI=1S/C28H33NO7/c1-25(2)19-15-21(35-23(31)17-9-6-5-7-10-17)27(4)20(34-24(32)18-11-8-14-29-16-18)12-13-26(3,33)28(27,36-25)22(19)30/h5-11,14,16,19-22,30,33H,12-13,15H2,1-4H3/t19-,20+,21+,22+,26+,27+,28+/m1/s1
SMILES CC1(C)O[C@]23C(O)[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(C)[C@@H](OC(=O)c1cccnc1)CC[C@]3(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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