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(20R)-CHOLESTA-5,25-DIENE-3-ALPHA,4-BETA,21-TRIOL-3,21-DISULFATE-DISODIUM-SALT
SpectraBase Compound ID Ik5XukZ1zy8
InChI InChI=1S/C27H44O9S2.2Na/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;;/h9,18-22,24-25,28H,1,5-8,10-16H2,2-4H3,(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 JWQWOKGAEPFHLA-DLHJVBIDSA-L
Mol Weight 620.72353856 g/mol
Molecular Formula C27H42Na2O9S2
Exact Mass 620.206564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPSmRUP2WZu
Name (20R)-CHOLESTA-5,25-DIENE-3-ALPHA,4-BETA,21-TRIOL-3,21-DISULFATE-DISODIUM-SALT
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42Na2O9S2
InChI InChI=1S/C27H44O9S2.2Na/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;;/h9,18-22,24-25,28H,1,5-8,10-16H2,2-4H3,(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 JWQWOKGAEPFHLA-DLHJVBIDSA-L
Literature Reference Author S.N.FEDOROV,E.V.LEVINA,A.I.KALINOVSKY,P.S.DMITRENOK,V.A.STON IK
Literature Reference Citation J.NAT.PROD.,57,1631(1994)
Literature Reference DOI 10.1021/np50114a004
Molecular Weight 620.725 g/mol
Solvent CD3OD
Source File Reference UWRK162