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METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,4,5-TRIDEOXY-4-[(PHENYL-SULFONYL)-AMINO]-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-TALO-NON-2-ENOATE
SpectraBase Compound ID 3Qos555Veua
InChI InChI=1S/C24H27F3N2O12S/c1-12(30)38-11-18(39-13(2)31)20(40-14(3)32)21-19(28-23(34)24(25,26)27)16(10-17(41-21)22(33)37-4)29-42(35,36)15-8-6-5-7-9-15/h5-10,16,18-21,29H,11H2,1-4H3,(H,28,34)/t16-,18+,19-,20-,21-/m1/s1
InChIKey IOQVDRIPFHEOEX-RSRIQPTJSA-N
Mol Weight 624.54 g/mol
Molecular Formula C24H27F3N2O12S
Exact Mass 624.12368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6svxj3uxlEb
Name METHYL-7,8,9-TRI-O-ACETYL-2,6-ANHYDRO-3,4,5-TRIDEOXY-4-[(PHENYL-SULFONYL)-AMINO]-5-[(TRIFLUOROACETYL)-AMINO]-D-GLYCERO-D-TALO-NON-2-ENOATE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H27F3N2O12S
InChI InChI=1S/C24H27F3N2O12S/c1-12(30)38-11-18(39-13(2)31)20(40-14(3)32)21-19(28-23(34)24(25,26)27)16(10-17(41-21)22(33)37-4)29-42(35,36)15-8-6-5-7-9-15/h5-10,16,18-21,29H,11H2,1-4H3,(H,28,34)/t16-,18+,19-,20-,21-/m1/s1
InChIKey IOQVDRIPFHEOEX-RSRIQPTJSA-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 624.540 g/mol
Solvent CDCl3
Source File Reference UWBT18422