| SpectraBase Compound ID | ARygcBdtQsh |
|---|---|
| InChI | InChI=1S/C40H68N10O20.Co/c1-14(34(60)46-16(3)38(64)65)45-37(63)22(9-7-8-20(41)32(42)58)49-25(55)11-10-21(33(43)59)50-35(61)15(2)44-36(62)17(4)67-31-27(48-19(6)54)39(66)68-24(13-52)30(31)70-40-26(47-18(5)53)29(57)28(56)23(12-51)69-40;/h14-17,20-24,26-31,39-40,51-52,56-57,66H,7-13,41H2,1-6H3,(H2,42,58)(H2,43,59)(H,44,62)(H,45,63)(H,46,60)(H,47,53)(H,48,54)(H,49,55)(H,50,61)(H,64,65);/q;+2/p-1 |
| InChIKey | LHHDUUJINITFBS-UHFFFAOYSA-M |
| Mol Weight | 1067.0 g/mol |
| Molecular Formula | C40H67CoN10O20 |
| Exact Mass | 1066.386504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1roGCZz3053 |
|---|---|
| Name | N-Acetyl-glucosaminyl-B-(1->4)-mur-nac-L-ala-D-isoglutaminyl-L-meso-diaminopimelyl-D-amide-L-D-ala-D-ala co(ii) complex |
| Comments | COMPLEXATION SITE NOT DEFINITE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H67CoN10O20 |
| InChI | InChI=1S/C40H68N10O20.Co/c1-14(34(60)46-16(3)38(64)65)45-37(63)22(9-7-8-20(41)32(42)58)49-25(55)11-10-21(33(43)59)50-35(61)15(2)44-36(62)17(4)67-31-27(48-19(6)54)39(66)68-24(13-52)30(31)70-40-26(47-18(5)53)29(57)28(56)23(12-51)69-40;/h14-17,20-24,26-31,39-40,51-52,56-57,66H,7-13,41H2,1-6H3,(H2,42,58)(H2,43,59)(H,44,62)(H,45,63)(H,46,60)(H,47,53)(H,48,54)(H,49,55)(H,50,61)(H,64,65);/q;+2/p-1 |
| InChIKey | LHHDUUJINITFBS-UHFFFAOYSA-M |
| Instrument Name | Jeol FX-90 |
| Literature Reference | B. Suskovic, Z. Vajtner, R. Naumski, Tetrahedron 47, 8407 (1991). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |