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ROGIOLEYGENINE-B-(-)-(R)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID-ESTER;ROGIOLEYGENINE-B-(-)-MTPA-ESTER
SpectraBase Compound ID GxjgyDtVV2M
InChI InChI=1S/C25H28BrCl2F3O4/c1-4-6-8-13-18(27)21-14-19(28)22(17(15-26)20(5-2)34-21)35-23(32)24(33-3,25(29,30)31)16-11-9-7-10-12-16/h1,6-12,17-22H,5,13-15H2,2-3H3/b8-6+/t17-,18?,19+,20+,21-,22+,24+/m1/s1
InChIKey YWCUVXVSSIIINA-WRHRZEGCSA-N
Mol Weight 600.3 g/mol
Molecular Formula C25H28BrCl2F3O4
Exact Mass 598.050012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0GbiOwN6wM
Name ROGIOLEYGENINE-B-(-)-(R)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID-ESTER;ROGIOLEYGENINE-B-(-)-MTPA-ESTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28BrCl2F3O4
InChI InChI=1S/C25H28BrCl2F3O4/c1-4-6-8-13-18(27)21-14-19(28)22(17(15-26)20(5-2)34-21)35-23(32)24(33-3,25(29,30)31)16-11-9-7-10-12-16/h1,6-12,17-22H,5,13-15H2,2-3H3/b8-6+/t17-,18?,19+,20+,21-,22+,24+/m1/s1
InChIKey YWCUVXVSSIIINA-WRHRZEGCSA-N
Literature Reference Author G.GUELLA,I.MANCINI,G.CHIASERA,F.PIETRA
Literature Reference Citation HELV.CHIM.ACTA,75,303(1992)
Literature Reference DOI 10.1002/hlca.19920750127
Molecular Weight 600.300 g/mol
Solvent CDCl3
Source File Reference UWCS6111