input word = C00056212

Metabolite InformationStructural formula
Name Triptersinine S
Formula C32H37NO13
Mw 643.22649028
CAS RN 1782099-65-3
C_ID C00056212
InChIKey OSCKNOIORJYCCO-OWFKIMCMSA-N
InChICode InChI=1S/C32H37NO13/c1-17(34)41-16-31-22(42-18(2)35)9-11-30(6,39)32(31)25(44-28(38)21-10-13-40-15-21)23(29(4,5)46-32)24(43-19(3)36)26(31)45-27(37)20-8-7-12-33-14-20/h7-8,10,12-15,22-26,39H,9,11,16H2,1-6H3/t22-,23+,24+,25+,26+,30-,31-,32-/m0/s1
SMILES CC(=O)OC[C@@]12[C@@H](OC(C)=O)CC[C@](C)(O)[C@]13OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@H]2OC(=O)c1cccnc1)[C@H]3OC(=O)c1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
zoom in