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14-O-[(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID]-BALEARONE
SpectraBase Compound ID LUSLFVqr8UW
InChI InChI=1S/C39H49F3O7/c1-24(16-17-26-22-28(45-7)21-25(2)31(26)46-8)20-29(43)32-35(5)18-13-19-36(35,6)37(32)23-30(34(3,4)49-37)48-33(44)38(47-9,39(40,41)42)27-14-11-10-12-15-27/h10-12,14-16,21-22,30,32H,13,17-20,23H2,1-9H3/b24-16+/t30-,32-,35-,36-,37+,38+/m0/s1
InChIKey VBXFATZDAYUQMP-GEHBJJDHSA-N
Mol Weight 686.8 g/mol
Molecular Formula C39H49F3O7
Exact Mass 686.343038 g/mol
Enantiomer InChIKey VBXFATZDAYUQMP-FZKILBOESA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Absolute Configuration of Some Marine Metabolites from Cystoseira spp. Journal of Natural Products 1997
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