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11β,17,20β,21-Tetrahydroxypregna-1,4-dien-3-one 21-Acetate , CAS No.96346-38-2
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Names and Identifiers IUPAC Name [(2R)-2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethyl] acetate INCHI InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-20,26-28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,19+,20+,21-,22-,23-/m0/s1 InChi Key TYKFSLOWQCQNQJ-CGDAUVCTSA-N Canonical SMILES CC(=O)OCC(C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O)O Isomeric SMILES CC(=O)OC[C@H]([C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)O PubChem CID 13962388 Molecular Weight 404.5
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