| 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
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| SpectraBase Spectrum ID | 8MWmleK1l6b |
|---|---|
| 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 | DMSO:MEOH=4:1 |
| Source File Reference | UWCS17733 |