| SpectraBase Compound ID | BQJQk7ZLKcZ |
|---|---|
| InChI | InChI=1S/C60H92N12O10/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) |
| InChIKey | IUAYMJGZBVDSGL-UHFFFAOYSA-N |
| Mol Weight | 1141.5 g/mol |
| Molecular Formula | C60H92N12O10 |
| Exact Mass | 1140.705937 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZOJZC9jRBQ |
|---|---|
| Name | Gramicidin-S |
| CAS Registry Number | 113-73-5 |
| Comments | COMPLETE ASSIGNEMENT BY C-13 ENRICHMENT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C60H92N12O10 |
| InChI | InChI=1S/C60H92N12O10/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) |
| InChIKey | IUAYMJGZBVDSGL-UHFFFAOYSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | J.A. Sogn, L.L. Craig, W.A. Gibbons, J. Am. Chem. Soc. 96, 3306 (1974). |
| NMR Standard | CS2 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CH3OH |