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(20R,25R)-CHOLEST-5-ENE-2-BETA,3-ALPHA,21,26-TETRAOL-2,21-DISULFATE;EPIMER-#2
SpectraBase Compound ID 2XJavPlB1vb
InChI InChI=1S/C27H46O10S2.2Na/c1-17(15-28)5-4-6-18(16-36-38(30,31)32)21-9-10-22-20-8-7-19-13-24(29)25(37-39(33,34)35)14-27(19,3)23(20)11-12-26(21,22)2;;/h7,17-18,20-25,28-29H,4-6,8-16H2,1-3H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t17-,18+,20-,21+,22-,23-,24-,25-,26+,27-;;/m0../s1
InChIKey YJFWNIAZGCHQCD-SPWVMEGSSA-L
Mol Weight 638.73853856 g/mol
Molecular Formula C27H44Na2O10S2
Exact Mass 638.217129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DPhKhZcBrzM
Name (20R,25R)-CHOLEST-5-ENE-2-BETA,3-ALPHA,21,26-TETRAOL-2,21-DISULFATE;EPIMER-#2
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44Na2O10S2
InChI InChI=1S/C27H46O10S2.2Na/c1-17(15-28)5-4-6-18(16-36-38(30,31)32)21-9-10-22-20-8-7-19-13-24(29)25(37-39(33,34)35)14-27(19,3)23(20)11-12-26(21,22)2;;/h7,17-18,20-25,28-29H,4-6,8-16H2,1-3H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t17-,18+,20-,21+,22-,23-,24-,25-,26+,27-;;/m0../s1
InChIKey YJFWNIAZGCHQCD-SPWVMEGSSA-L
Literature Reference Author E.V.LEVINA,P.V.ANDRIYASCHENKO,A.I.KALINOVSKY,V.A.STONIK
Literature Reference Citation J.NAT.PROD.,61,1423(1998)
Literature Reference DOI 10.1021/np9801864
Molecular Weight 638.740 g/mol
Solvent CD3OD
Source File Reference UWCS19569