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DE-A,B-CHOLESTA-8,25-DIEN-8-YL-TRIFLUOROMETHYL-SULFONATE;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID JjvnhoqpUSX
InChI InChI=1S/C19H29F3O3S/c1-13(2)7-5-8-14(3)15-10-11-16-17(9-6-12-18(15,16)4)25-26(23,24)19(20,21)22/h9,14-16H,1,5-8,10-12H2,2-4H3/t14-,15-,16?,18-/m1/s1
InChIKey KVKKAPPBENWUAJ-VKAIUELNSA-N
Mol Weight 394.49 g/mol
Molecular Formula C19H29F3O3S
Exact Mass 394.17895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EL04Dk3jn3E
Name DE-A,B-CHOLESTA-8,25-DIEN-8-YL-TRIFLUOROMETHYL-SULFONATE;(VITAMIN-D-DERIVATIVE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H29F3O3S
InChI InChI=1S/C19H29F3O3S/c1-13(2)7-5-8-14(3)15-10-11-16-17(9-6-12-18(15,16)4)25-26(23,24)19(20,21)22/h9,14-16H,1,5-8,10-12H2,2-4H3/t14-,15-,16?,18-/m1/s1
InChIKey KVKKAPPBENWUAJ-VKAIUELNSA-N
Literature Reference Author S.A.BARRACK,R.A.GIBBS,W.H.OKAMURA
Literature Reference Citation J.ORG.CHEM.,53,1790(1988)
Literature Reference DOI 10.1021/jo00243a035
Molecular Weight 394.493 g/mol
Solvent CDCl3
Source File Reference UWWR5082