input word = C00056254

Metabolite InformationStructural formula
Name Triptregeline A
Formula C34H39NO13
Mw 669.24214034
CAS RN 2197992-83-7
C_ID C00056254
InChIKey CQRPTVSZHIBJIV-SGCVSCTISA-N
InChICode InChI=1S/C34H39NO13/c1-18(36)43-17-33-27(46-30(41)22-13-10-14-35-16-22)23(44-19(2)37)15-32(6,42)34(33)26(39)24(31(4,5)48-34)25(45-20(3)38)28(33)47-29(40)21-11-8-7-9-12-21/h7-14,16,23-28,39,42H,15,17H2,1-6H3/t23-,24+,25-,26-,27-,28+,32-,33-,34-/m0/s1
SMILES CC(=O)OC[C@]12[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@H]3[C@H](O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(=O)c1cccnc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
zoom in



OrganismTripterygium regelii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.