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CHEBI:135798 - betamethasone benzoate

ChEBI IDCHEBI:135798
ChEBI Namebetamethasone benzoate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC29H33FO6
Net Charge0
Average Mass496.575
Monoisotopic Mass496.22612
SMILES[H][C@@]12C[C@H](C)[C@](OC(=O)c3ccccc3)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C
InChIInChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1
InChIKeySOQJPQZCPBDOMF-YCUXZELOSA-N
ChEBI Ontology
Outgoing Relation(s)
betamethasone benzoate (CHEBI:135798) is a 21-hydroxy steroid (CHEBI:35344)
Synonym  Source
betamethasone 17-benzoateDrugCentral
Manual XrefsDatabases
351DrugCentral
Registry NumbersSources
CAS:22298-29-9DrugCentral