CHEBI:135798 - betamethasone benzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name betamethasone benzoate
ChEBI ID CHEBI:135798
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H33FO6
Net Charge 0
Average Mass 496.568
Monoisotopic Mass 496.22612
InChI InChI=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
InChIKey SOQJPQZCPBDOMF-YCUXZELOSA-N
SMILES O(C(=O)C1=CC=CC=C1)[C@@]2(C(CO)=O)[C@]3(C)[C@@](C[C@@H]2C)([C@]4([C@@]([C@H](C3)O)(F)[C@]5(C)C(CC4)=CC(C=C5)=O)[H])[H]
ChEBI Ontology
Outgoing betamethasone benzoate (CHEBI:135798) is a 21-hydroxy steroid (CHEBI:35344)
Synonym Source
betamethasone 17-benzoate DrugCentral
Manual Xref Database
351 DrugCentral
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Registry Number Type Source
22298-29-9 CAS Registry Number DrugCentral
Last Modified
23 February 2017