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2,3-O-ISOPROPYLIDENE-20,22-O-[(1-RS)-1-HYDROXY-2,2,2-TRIFLUOROETHYLIDENE]-20-HYDROXYECDYZONE;MIXTURE_OF_ISOMERS;(20-R,22-R)-2,3-O-ISOPROPYLIDEN

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2,3-O-ISOPROPYLIDENE-20,22-O-[(1-RS)-1-HYDROXY-2,2,2-TRIFLUOROETHYLIDENE]-20-HYDROXYECDYZONE;MIXTURE_OF_ISOMERS;(20-R,22-R)-2,3-O-ISOPROPYLIDEN
SpectraBase Compound ID Kp4f6g3qMO2
InChI InChI=1S/2C32H47F3O8/c2*1-25(2,37)11-10-24-29(7,43-32(39,42-24)31(33,34)35)23-9-13-30(38)18-14-20(36)19-15-21-22(41-26(3,4)40-21)16-27(19,5)17(18)8-12-28(23,30)6/h2*14,17,19,21-24,37-39H,8-13,15-16H2,1-7H3/t2*17-,19-,21+,22-,23-,24+,27+,28+,29+,30+,32-/m00/s1
InChIKey XOZUJDZTCXSBAM-RYLWYQKGSA-N
Mol Weight 1233.4 g/mol
Molecular Formula C64H94F6O16
Exact Mass 1232.644606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQV6m2RhDPd
Name 2,3-O-ISOPROPYLIDENE-20,22-O-[(1-RS)-1-HYDROXY-2,2,2-TRIFLUOROETHYLIDENE]-20-HYDROXYECDYZONE;MIXTURE_OF_ISOMERS;(20-R,22-R)-2,3-O-ISOPROPYLIDEN
Compound Number XVI II
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H94F6O16
InChI InChI=1S/2C32H47F3O8/c2*1-25(2,37)11-10-24-29(7,43-32(39,42-24)31(33,34)35)23-9-13-30(38)18-14-20(36)19-15-21-22(41-26(3,4)40-21)16-27(19,5)17(18)8-12-28(23,30)6/h2*14,17,19,21-24,37-39H,8-13,15-16H2,1-7H3/t2*17-,19-,21+,22-,23-,24+,27+,28+,29+,30+,32-/m00/s1
InChIKey XOZUJDZTCXSBAM-RYLWYQKGSA-N
Literature Reference Author I.V.GALYAUTDINOV,S.R.NAZMEEVA,R.G.SAVCHENKO,N.A.VESKINA,D.V. A.A.FATYKHOV,L.M.KHA
Literature Reference Citation RUSS.J.ORG.CHEM.,40,675(2004)
Literature Reference DOI 10.1023/B:RUJO.0000043713.14760.02
Molecular Weight 1233.431 g/mol
Solvent C5D5N
Source File Reference UWMZ16701