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2-(4-HYDROXYMETHYL-1,3,4,5-TETRAHYDROXY-2-PIPERIDINYL)-2-[(O-TERT.-BUTYLCARBONYL)-TYROSYLAMINO]-ACETIC-ACID-N-BUTYLESTER-P-TOLUENESULFONATE-SALT

View entire compound with spectra: 1 NMR

2-(4-HYDROXYMETHYL-1,3,4,5-TETRAHYDROXY-2-PIPERIDINYL)-2-[(O-TERT.-BUTYLCARBONYL)-TYROSYLAMINO]-ACETIC-ACID-N-BUTYLESTER-P-TOLUENESULFONATE-SALT
SpectraBase Compound ID 19Sc4G1y8FY
InChI InChI=1S/C33H47N3O13S/c1-6-7-16-47-30(41)26(27-28(39)33(43,19-37)25(38)18-36(27)44)34-29(40)24(35-49-50(45,46)23-14-8-20(2)9-15-23)17-21-10-12-22(13-11-21)48-31(42)32(3,4)5/h8-15,24-28,35,37-39,43-44H,6-7,16-19H2,1-5H3,(H,34,40)/t24-,25+,26?,27+,28-,33-/m0/s1
InChIKey MNZMKJNNASWUPK-JUVPPTEHSA-N
Mol Weight 725.8 g/mol
Molecular Formula C33H47N3O13S
Exact Mass 725.28296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ec3ND3rkBD0
Name 2-(4-HYDROXYMETHYL-1,3,4,5-TETRAHYDROXY-2-PIPERIDINYL)-2-[(O-TERT.-BUTYLCARBONYL)-TYROSYLAMINO]-ACETIC-ACID-N-BUTYLESTER-P-TOLUENESULFONATE-SALT
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H46N3O13S
InChI InChI=1S/C33H47N3O13S/c1-6-7-16-47-30(41)26(27-28(39)33(43,19-37)25(38)18-36(27)44)34-29(40)24(35-49-50(45,46)23-14-8-20(2)9-15-23)17-21-10-12-22(13-11-21)48-31(42)32(3,4)5/h8-15,24-28,35,37-39,43-44H,6-7,16-19H2,1-5H3,(H,34,40)/t24-,25+,26?,27+,28-,33-/m0/s1
InChIKey MNZMKJNNASWUPK-JUVPPTEHSA-N
Literature Reference Author J.M.BERGE,N.J.P.BROOM,C.S.V.HOUGE-FRYDRYCH,R.L.JARVEST,L.MEN SAH,D.J.MCNAIR,P.J.O
Literature Reference Citation J.ANTIBIOTICS,53,1282(2000)
Literature Reference DOI 10.7164/antibiotics.53.1282
Molecular Weight 724.801 g/mol
Solvent CD3OD
Source File Reference UWRU7294