| SpectraBase Compound ID | GWtqB6wHEZr |
|---|---|
| InChI | InChI=1S/C40H60N12O13S2/c1-3-19(2)32-39(64)49-26(16-53)37(62)48-25(14-30(43)56)35(60)50-27(18-67-66-17-22(41)33(58)47-24(36(61)51-32)13-20-6-8-21(54)9-7-20)40(65)52-12-4-5-28(52)38(63)46-23(10-11-29(42)55)34(59)45-15-31(44)57/h6-9,19,22-28,32,53-54H,3-5,10-18,41H2,1-2H3,(H2,42,55)(H2,43,56)(H2,44,57)(H,45,59)(H,46,63)(H,47,58)(H,48,62)(H,49,64)(H,50,60)(H,51,61) |
| InChIKey | YUQXKZJMZYJXHU-UHFFFAOYSA-N |
| Mol Weight | 981.1 g/mol |
| Molecular Formula | C40H60N12O13S2 |
| Exact Mass | 980.384422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lpq8R818uWw |
|---|---|
| Name | Glumitocin |
| CAS Registry Number | 10052-67-2 |
| Comments | REFERENCE WAS ORIGINALLY DIOXANE WITH 126.1 PPM (CS2) PH = 4.0 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H60N12O13S2 |
| InChI | InChI=1S/C40H60N12O13S2/c1-3-19(2)32-39(64)49-26(16-53)37(62)48-25(14-30(43)56)35(60)50-27(18-67-66-17-22(41)33(58)47-24(36(61)51-32)13-20-6-8-21(54)9-7-20)40(65)52-12-4-5-28(52)38(63)46-23(10-11-29(42)55)34(59)45-15-31(44)57/h6-9,19,22-28,32,53-54H,3-5,10-18,41H2,1-2H3,(H2,42,55)(H2,43,56)(H2,44,57)(H,45,59)(H,46,63)(H,47,58)(H,48,62)(H,49,64)(H,50,60)(H,51,61) |
| InChIKey | YUQXKZJMZYJXHU-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | V.J. Hruby, K.K. Deb, A.F. Spatola, J. Am. Chem. Soc. 101, 202 (1979). |
| NMR Standard | CS2 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |