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STACHYSTERONE_B_20,22-ACETONIDE_25-TRIFLUOROACETATE
SpectraBase Compound ID 3gKxP914ccH
InChI InChI=1S/C32H45F3O7/c1-27(2,41-26(39)32(33,34)35)12-11-25-31(7,42-28(3,4)40-25)24-9-8-18-17-14-21(36)20-15-22(37)23(38)16-30(20,6)19(17)10-13-29(18,24)5/h8,14,19-20,22-25,37-38H,9-13,15-16H2,1-7H3/t19?,20-,22+,23-,24-,25+,29-,30+,31-/m0/s1
InChIKey CEODTLOUYCSAHV-WELRVZDBSA-N
Mol Weight 598.7 g/mol
Molecular Formula C32H45F3O7
Exact Mass 598.311738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4juaO6mcTfF
Name STACHYSTERONE_B_20,22-ACETONIDE_25-TRIFLUOROACETATE
Compound Number VIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H45F3O7
InChI InChI=1S/C32H45F3O7/c1-27(2,41-26(39)32(33,34)35)12-11-25-31(7,42-28(3,4)40-25)24-9-8-18-17-14-21(36)20-15-22(37)23(38)16-30(20,6)19(17)10-13-29(18,24)5/h8,14,19-20,22-25,37-38H,9-13,15-16H2,1-7H3/t19?,20-,22+,23-,24-,25+,29-,30+,31-/m0/s1
InChIKey CEODTLOUYCSAHV-WELRVZDBSA-N
Literature Reference Author V.N.ODINOKOV,I.V.GALYAUTDINOV,D.V.NEDOPEKIN,N.A.VESKINA,L.M. KHALILOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,952(2003)
Literature Reference DOI 10.1023/B:RUJO.0000003183.84168.79
Molecular Weight 598.700 g/mol
Solvent CDCl3
Source File Reference UWMZ21591