Betamethasone-D5 9,11-Epoxide

ISO 17034:
Catalog Number : CS-O-16093
CAS Number : 981-34-0 (Unlabeled)
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Product Information

Product Name : "Betamethasone-D5 9,11-Epoxide"
Category : Stable Isotopes

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Canonical SMILES : CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)CO)O)C)C
Isomeric SMILES : C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)CO)O)C)C
InChI : InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,18-,19-,20-,21-,22+/m0/s1
InchIKey : GBDXNHBVYAMODG-DEGNENOVSA-N
IUPAC Name : (1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
Exact Mass : 372.19367399
EC Number : 213-563-4