For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
14-O-[(R)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID]-BALEARONE
SpectraBase Compound ID JRJsBnWAMgZ
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-IABSVKLESA-N
Mol Weight 686.8 g/mol
Molecular Formula C39H49F3O7
Exact Mass 686.343038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CGnVddzDkYO
Name 14-O-[(R)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID]-BALEARONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H49F3O7
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-IABSVKLESA-N
Literature Reference Author V.AMICO,M.PIATTELLI,M.BIZZINI,P.NERI
Literature Reference Citation J.NAT.PROD.,60,1088(1997)
Literature Reference DOI 10.1021/np9700432
Molecular Weight 686.809 g/mol
Solvent CDCl3
Source File Reference UWMZ10781