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Budesonide-d6 , CAS No.1134189-63-1
Names and Identifiers
IUPAC Name | (1S,2S,4R,8S,9S,11S,12S,13R)-15,17,19,19-tetradeuterio-8-(2,2-dideuterio-2-hydroxyacetyl)-11-hydroxy-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one |
INCHI | InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1/i6D2,8D,10D,13D2 |
InChi Key | VOVIALXJUBGFJZ-USIGUGKCSA-N |
Canonical SMILES | CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C |
Isomeric SMILES | [2H]C1=C[C@@]2([C@H]3[C@H](C[C@]4([C@H]([C@@H]3CC(C2=C(C1=O)[2H])([2H])[2H])C[C@@H]5[C@]4(OC(O5)CCC)C(=O)C([2H])([2H])O)C)O)C |
PubChem CID | 44517238 |
Molecular Weight | 436.57 |
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