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CHEBI:19290 - 2,22,25-trideoxyecdysone

ChEBI IDCHEBI:19290
ChEBI Name2,22,25-trideoxyecdysone
Stars
DefinitionA 3β-hydroxy steroid that is 5β-cholestane containing a double bond between positions 7 and 8, and substituted by an oxo group at position 6 and by hydroxy groups at the 3β and 14α positions.
Last Modified17 October 2024
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILES[H][C@@]12C[C@@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@](O)(CC[C@]3([H])[C@H](C)CCCC(C)C)C1=CC2=O
InChIInChI=1S/C27H44O3/c1-17(2)7-6-8-18(3)20-11-14-27(30)22-16-24(29)23-15-19(28)9-12-25(23,4)21(22)10-13-26(20,27)5/h16-21,23,28,30H,6-15H2,1-5H3/t18-,19+,20-,21+,23+,25-,26-,27-/m1/s1
InChIKeyFADCOUQPHXGWQS-ZCDXYYCTSA-N
ChEBI Ontology
Outgoing Relation(s)
2,22,25-trideoxyecdysone (CHEBI:19290) has functional parent ecdysone (CHEBI:16688)
2,22,25-trideoxyecdysone (CHEBI:19290) has parent hydride 5β-cholestane (CHEBI:35517)
2,22,25-trideoxyecdysone (CHEBI:19290) is a 14α-hydroxy steroid (CHEBI:36861)
2,22,25-trideoxyecdysone (CHEBI:19290) is a 3β-hydroxy steroid (CHEBI:36836)
2,22,25-trideoxyecdysone (CHEBI:19290) is a 6-oxo steroid (CHEBI:36883)
2,22,25-trideoxyecdysone (CHEBI:19290) is a enone (CHEBI:51689)
IUPAC Name 
3β,14-dihydroxy-5β-cholest-7-en-6-one
Synonyms  Source
3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-oneChemIDplus
2,22,25-TrideoxyecdysoneKEGG COMPOUND
3beta,14alpha-Dihydroxy-5beta-cholest-7-en-6-oneKEGG COMPOUND
UniProt Name  Source
2,22,25-trideoxyecdysoneUniProt
Manual XrefsDatabases
C16493KEGG COMPOUND
Registry NumbersSources
Reaxys:5304720Reaxys
CAS:39219-57-3ChemIDplus
CAS:39219-57-3KEGG COMPOUND