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METHYLPROTOGRACILLIN
SpectraBase Compound ID KMvkwp2itlq
InChI InChI=1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3/t21-,22-,23+,25?,26+,27-,28-,29-,30-,31+,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42-,43+,44-,45+,46-,47+,48-,49+,50-,51-,52+/m0/s1
InChIKey LOSNTJHBTWBJCC-PVXRPKNISA-N
Mol Weight 1079.2 g/mol
Molecular Formula C52H86O23
Exact Mass 1078.555989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4pRaBNMSfkb
Name METHYLPROTOGRACILLIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H86O23
InChI InChI=1S/C52H86O23/c1-21(20-67-46-41(63)39(61)35(57)30(17-53)70-46)9-14-52(66-6)22(2)33-29(75-52)16-28-26-8-7-24-15-25(10-12-50(24,4)27(26)11-13-51(28,33)5)69-49-45(74-47-42(64)38(60)34(56)23(3)68-47)44(37(59)32(19-55)72-49)73-48-43(65)40(62)36(58)31(18-54)71-48/h7,21-23,25-49,53-65H,8-20H2,1-6H3/t21-,22-,23+,25?,26+,27-,28-,29-,30-,31+,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42-,43+,44-,45+,46-,47+,48-,49+,50-,51-,52+/m0/s1
InChIKey LOSNTJHBTWBJCC-PVXRPKNISA-N
Literature Reference Author R.AQUINO,I.BEHAR,F.DESIMONE,M.D'AGOSTINO,C.PIZZA
Literature Reference Citation J.NAT.PROD.,49,1096(1986)
Literature Reference DOI 10.1021/np50048a021
Molecular Weight 1079.241 g/mol
Solvent PYRIDINE-D5
Source File Reference UWED18150