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Gramicidin-S
SpectraBase Compound ID 5l6WWXC73fl
InChI InChI=1S/C60H92N12O10.2ClH/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43;;/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77);2*1H/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-;;/m0../s1
InChIKey KCUAVDXLFXNGDG-UQMAEAFHSA-N
Mol Weight 1214.39 g/mol
Molecular Formula C60H94Cl2N12O10
Exact Mass 1212.659293 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Pg5w5KQ9t7
Name GRAMICIDIN-S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H94Cl2N12O10
InChI InChI=1S/C60H92N12O10.2ClH/c1-35(2)31-43-53(75)67-45(33-39-19-11-9-12-20-39)59(81)71-29-17-25-47(71)55(77)70-50(38(7)8)58(80)64-42(24-16-28-62)52(74)66-44(32-36(3)4)54(76)68-46(34-40-21-13-10-14-22-40)60(82)72-30-18-26-48(72)56(78)69-49(37(5)6)57(79)63-41(23-15-27-61)51(73)65-43;;/h9-14,19-22,35-38,41-50H,15-18,23-34,61-62H2,1-8H3,(H,63,79)(H,64,80)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,78)(H,70,77);2*1H/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-;;/m0../s1
InChIKey KCUAVDXLFXNGDG-UQMAEAFHSA-N
Literature Reference Author H.R.KRICHELDORF
Literature Reference Citation ORG.MAGN.RES.,15,162(1981)
Literature Reference DOI 10.1002/mrc.1270150211
Solvent HCOOH
Source File Reference UWCS17734