input word = C00036469

Metabolite InformationStructural formula
Name 20-Hydroxyecdysone-20,22-monoacetonide
(+)-20-Hydroxyecdysone-20,22-monoacetonide
Formula C30H48O7
Mw 520.34000389
CAS RN 22798-96-5
C_ID C00036469 ,
InChIKey GXNNYSDWRVKVJY-OETAUHTENA-N
InChICode InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)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]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
PlantaeAsteraceaeSerratula strangulata Ref.
PlantaeMalvaceaeSida spinosa Ref.
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OrganismSerratula strangulata
ReferenceDai,Phytochem.,58,(2001),1305