input word = C00060922

Metabolite InformationStructural formula
Name Ecdysterone 2,3:20,22-diacetonide
Formula C33H52O7
Mw 560.37130401
CAS RN 22798-98-7
C_ID C00060922
InChIKey WXFMGCVRGSIXOB-APTIWFLNSA-N
InChICode InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23+,24-,25-,26+,30+,31+,32+,33+/m0/s1
SMILES CC(C)(O)CCC1OC(C)(C)OC1(C)C1CCC2(O)C3=CC(=O)C4CC5OC(C)(C)OC5CC4(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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