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CHEBI:19814 - 25-deoxyecdysone

ChEBI IDCHEBI:19814
ChEBI Name25-deoxyecdysone
Stars
DefinitionA 3β-hydroxy steroid that is ecdysone in which the hydroxy group at position 25 is replaced by a hydrogen.
Last Modified15 July 2011
DownloadsMolfile
FormulaC27H44O5
Net Charge0
Average Mass448.644
Monoisotopic Mass448.31887
SMILES[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@](O)(CC[C@]3([H])[C@H](C)[C@H](O)CCC(C)C)C1=CC2=O
InChIInChI=1S/C27H44O5/c1-15(2)6-7-21(28)16(3)17-9-11-27(32)19-12-22(29)20-13-23(30)24(31)14-25(20,4)18(19)8-10-26(17,27)5/h12,15-18,20-21,23-24,28,30-32H,6-11,13-14H2,1-5H3/t16-,17+,18-,20-,21+,23+,24-,25+,26+,27+/m0/s1
InChIKeyHHQGPNBMKUXKRM-JUJQDXCZSA-N
ChEBI Ontology
Outgoing Relation(s)
25-deoxyecdysone (CHEBI:19814) has functional parent ecdysone (CHEBI:16688)
25-deoxyecdysone (CHEBI:19814) has parent hydride 5β-cholestane (CHEBI:35517)
25-deoxyecdysone (CHEBI:19814) is a 14α-hydroxy steroid (CHEBI:36861)
25-deoxyecdysone (CHEBI:19814) is a 22-hydroxy steroid (CHEBI:36863)
25-deoxyecdysone (CHEBI:19814) is a 2β-hydroxy steroid (CHEBI:36859)
25-deoxyecdysone (CHEBI:19814) is a 3β-hydroxy steroid (CHEBI:36836)
25-deoxyecdysone (CHEBI:19814) is a 6-oxo steroid (CHEBI:36883)
25-deoxyecdysone (CHEBI:19814) is a enone (CHEBI:51689)
IUPAC Name 
(22R)-2β,3β,14,22-tetrahydroxy-5β-cholest-7-en-6-one
Registry NumbersSources
Reaxys:7149326Reaxys
CAS:22005-50-1ChemIDplus