input word = C00048264

Metabolite InformationStructural formula
Name 20-Hydroxyecdysone 2,3-monoacetonide
(+)-20-Hydroxyecdysone 2,3-monoacetonide
Formula C30H48O7
Mw 520.34000389
CAS RN 113866-76-5
C_ID C00048264 ,
InChIKey OWTQJKQVBMPILJ-OETAUHTENA-N
InChICode InChI=1S/C30H48O7/c1-25(2,33)11-10-24(32)29(7,34)23-9-13-30(35)18-14-20(31)19-15-21-22(37-26(3,4)36-21)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19-,21+,22-,23-,24+,27+,28+,29+,30+/m0/s1
SMILES CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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