input word = C00056248

Metabolite InformationStructural formula
Name Tripterygiumine T
Formula C32H39NO16
Mw 693.22688421
CAS RN 2016024-50-1
C_ID C00056248
InChIKey AQSFJJSFWJKPPH-ZCVPJOPHSA-N
InChICode InChI=1S/C32H39NO16/c1-14(34)44-13-31-24(46-15(2)35)20(37)19-22(39)32(31)30(6,43)23(21(38)25(31)47-16(3)36)48-27(41)28(4,42)10-9-18-17(8-7-11-33-18)26(40)45-12-29(19,5)49-32/h7-8,11,19,21-25,38-39,42-43H,9-10,12-13H2,1-6H3/t19-,21+,22-,23+,24-,25+,28?,29+,30+,31-,32+/m1/s1
SMILES CC(=O)OC[C@]12[C@H](OC(C)=O)C(=O)[C@@H]3[C@@H](O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CCC(C)(O)C(=O)O[C@@H]([C@H](O)[C@@H]2OC(C)=O)[C@]4(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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