input word = C00056225

Metabolite InformationStructural formula
Name Triptersinine Z8
Formula C36H41NO11
Mw 663.26796116
CAS RN 2222108-49-6
C_ID C00056225
InChIKey RCYFFNPLRZUBBL-JBJDFJHHSA-N
InChICode InChI=1S/C36H41NO11/c1-21-14-16-27(46-28(41)17-15-25-11-8-7-9-12-25)35(20-43-22(2)38)32(47-33(42)26-13-10-18-37-19-26)30(44-23(3)39)29-31(45-24(4)40)36(21,35)48-34(29,5)6/h7-13,15,17-19,21,27,29-32H,14,16,20H2,1-6H3/b17-15+/t21-,27+,29-,30-,31-,32-,35+,36-/m1/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(=O)/C=C/c3ccccc3)CC[C@@H](C)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1cccnc1)[C@H]3OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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OrganismTripterygium wilfordii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.