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CHEBI:19793 - 20,26-dihydroxyecdysone

ChEBI IDCHEBI:19793
ChEBI Name20,26-dihydroxyecdysone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H44O8
Net Charge0
Average Mass496.641
Monoisotopic Mass496.30362
SMILES[H][C@]1([C@@](C)(O)[C@H](O)CCC(C)(O)CO)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C27H44O8/c1-23(33,14-28)8-7-22(32)26(4,34)21-6-10-27(35)16-11-18(29)17-12-19(30)20(31)13-24(17,2)15(16)5-9-25(21,27)3/h11,15,17,19-22,28,30-35H,5-10,12-14H2,1-4H3/t15-,17-,19+,20-,21-,22+,23?,24+,25+,26+,27+/m0/s1
InChIKeyRRCGNPRHZQPOOT-FFBSXHGNSA-N
ChEBI Ontology
Outgoing Relation(s)
20,26-dihydroxyecdysone (CHEBI:19793) has functional parent ecdysone (CHEBI:16688)
20,26-dihydroxyecdysone (CHEBI:19793) is a 20-hydroxy steroid (CHEBI:36854)
20,26-dihydroxyecdysone (CHEBI:19793) is a 26-hydroxy steroid (CHEBI:36852)
IUPAC Name 
ergosta-5,24(28)-diene-3β,20,26-triol
Manual XrefsDatabases
C16500KEGG COMPOUND
Registry NumbersSources
CAS:19458-46-9ChemIDplus
CAS:19458-46-9KEGG COMPOUND