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(20R)-CHOLEST-5-ENE-3-ALPHA,4-BETA,21-TRIOL-3,21-DISULFATE
SpectraBase Compound ID 5tfWNnYgqxj
InChI InChI=1S/C27H46O9S2.K.Na/c1-17(2)6-5-7-18(16-35-37(29,30)31)20-10-11-21-19-8-9-23-25(28)24(36-38(32,33)34)13-15-27(23,4)22(19)12-14-26(20,21)3;;/h9,17-22,24-25,28H,5-8,10-16H2,1-4H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/t18-,19+,20-,21+,22+,24-,25-,26-,27-;;/m1../s1
InChIKey FLKACZKNUPABBI-DLHJVBIDSA-L
Mol Weight 638.8481 g/mol
Molecular Formula C27H44KNaO9S2
Exact Mass 638.196151 g/mol
Parent InChIKey AHKBCVGVSYHXPH-REKCHVTFSA-L
Enantiomer InChIKey FLKACZKNUPABBI-RPPUABGKSA-L
Unknown Identification

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