input word = C00056264

Metabolite InformationStructural formula
Name Triptregelol A
Formula C26H34O10
Mw 506.21519731
CAS RN 2197992-86-0
C_ID C00056264
InChIKey RKIWKRNVTDWCCD-NKMZTVQKSA-N
InChICode InChI=1S/C26H34O10/c1-14(27)33-13-25-17(29)11-12-24(5,32)26(25)20(34-15(2)28)18(23(3,4)36-26)19(30)21(25)35-22(31)16-9-7-6-8-10-16/h6-10,17-21,29-30,32H,11-13H2,1-5H3/t17-,18+,19+,20+,21+,24-,25-,26-/m0/s1
SMILES CC(=O)OC[C@]12[C@H](OC(=O)c3ccccc3)[C@H](O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)CC[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium regelii Ref.
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OrganismTripterygium regelii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.