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CINCHONIDINE SULFATE(524-61-8) 13C NMR
Product NameCINCHONIDINE SULFATE
CAS524-61-8
Molecular FormulaC38H46N4O6S
Molecular Weight686.86
InChIInChI=1/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t2*13-,14-,18-,19+;/s3
InChIKey WBBHOISPYYYBTC-ORMBYKGNNA-N
Smiles[C@@]1([H])(C[C@@]2(CCN1C[C@@H]2C=C)[H])[C@H](O)C1=CC=NC2C=CC=CC1=2.[C@@]1([H])(C[C@]2([H])CCN1C[C@@H]2C=C)[C@H](O)C1=CC=NC2C=CC=CC1=2.S(=O)(=O)(O)O |&1:0,3,8,12,24,27,33,36,r|
