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METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,5-DIDEOXY-4-S-OCTYL-4-THIO-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-GALACTO-NON-2-ENONATE
SpectraBase Compound ID BsOJx3SYf5E
InChI InChI=1S/C26H38F3NO10S/c1-6-7-8-9-10-11-12-41-20-13-18(24(34)36-5)40-23(21(20)30-25(35)26(27,28)29)22(39-17(4)33)19(38-16(3)32)14-37-15(2)31/h13,19-23H,6-12,14H2,1-5H3,(H,30,35)/t19-,20-,21+,22+,23+/m0/s1
InChIKey OEFLOLFCFHXRSN-LHGONGGSSA-N
Mol Weight 613.6 g/mol
Molecular Formula C26H38F3NO10S
Exact Mass 613.216852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jyG6omc01m
Name METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,5-DIDEOXY-4-S-OCTYL-4-THIO-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-GALACTO-NON-2-ENONATE
Compound Number 21A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38F3NO10S
InChI InChI=1S/C26H38F3NO10S/c1-6-7-8-9-10-11-12-41-20-13-18(24(34)36-5)40-23(21(20)30-25(35)26(27,28)29)22(39-17(4)33)19(38-16(3)32)14-37-15(2)31/h13,19-23H,6-12,14H2,1-5H3,(H,30,35)/t19-,20-,21+,22+,23+/m0/s1
InChIKey OEFLOLFCFHXRSN-LHGONGGSSA-N
Literature Reference Author P.ALLEVI,P.ROTA,I.S.AGNOLIN,A.GREGORIO,M.ANASTASIA
Literature Reference Citation EUR.J.ORG.CHEM.,2013,4065(2013)
Literature Reference DOI 10.1002/ejoc.201300154
Molecular Weight 613.644 g/mol
Solvent CDCl3
Source File Reference UWBT18436