input word = C00038227

Metabolite InformationStructural formula
Name 2-Deoxy-5,20,26-trihydroxyecdysone 20,22-acetonide
Formula C30H48O8
Mw 536.33491851
CAS RN 1039036-00-4
C_ID C00038227 ,
InChIKey MENIOZHCBSKIIJ-LAUJROIANA-N
InChICode InChI=1S/C30H48O8/c1-24(2)37-23(10-11-25(3,34)17-31)28(6,38-24)21-9-14-29(35)20-15-22(33)30(36)16-18(32)7-12-26(30,4)19(20)8-13-27(21,29)5/h15,18-19,21,23,31-32,34-36H,7-14,16-17H2,1-6H3/t18-,19-,21-,23+,25-,26+,27+,28+,29+,30+/m0/s1
SMILES CC(O)(CO)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeSilene viridiflora Ref.
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OrganismSilene viridiflora
ReferenceToth,J.Nat.Prod.,71,(2008),1461