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Betamethasone-Δ17,20-d3 21-Aldehyde

ISO 17034:

Chemical Name : Betamethasone-Δ17,20-d3 21-Aldehyde
Catalog Number : CS-O-16091
CAS Number : 6762-45-4 (Unlabeled)
Status :
Category : Betamethasone Stable Isotopes
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Canonical SMILES : CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1=C(C=O)O)C)O)F)C
Isomeric SMILES : C[C@H]\1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(/C1=C(/C=O)\O)C)O)F)C
InChI : InChI=1S/C22H27FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,11-12,15-16,18,26-27H,4-5,8,10H2,1-3H3/b19-17-/t12-,15-,16-,18-,20-,21-,22-/m0/s1
IUPAC Name : (2Z)-2-[(8S,9R,10S,11S,13S,14S,16S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-ylidene]-2-hydroxyacetaldehyde
Exact Mass : 374.18933750