Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)-, (11β,16α)-, compd. with N,N-diethylethanamine (1:1),1436872-65-9-Amadis Chemical

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[CAS No.1436872-65-9] A981016 Pregna-1,4-diene-3,20-dione, 16,17-[butylidenebis(oxy)]-11-hydroxy-21-(sulfooxy)-, (11β,16α)-, compd. with N,N-diethylethanamine (1:1) 97%

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Catalog No.: A981016

Cas No.: 1436872-65-9

Molecular Formula: C₃₁H₄₉NO₉S

Molecular Weight: 611.79

MDL NO:

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Storage: Store in 2-8°C for long term (months)

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Smiles: N(CC)(CC)CC.C([C@@]12OC(CCC)O[C@]1([H])C[C@@]1([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]21C)(=O)COS(O)(=O)=O

InchiKey: XFHVILJDWDHJDM-UQGKMEHISA-N

Inchi: InChI=1S/C25H34O9S.C6H15N/c1-4-5-21-33-20-11-17-16-7-6-14-10-15(26)8-9-23(14,2)22(16)18(27)12-24(17,3)25(20,34-21)19(28)13-32-35(29,30)31;1-4-7(5-2)6-3/h8-10,16-18,20-22,27H,4-7,11-13H2,1-3H3,(H,29,30,31);4-6H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+;/m0./s1

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