| SpectraBase Compound ID | FFDvUhh4n64 |
|---|---|
| InChI | InChI=1S/C26H37AsN6O12S2/c28-15(25(42)43)6-8-19(34)32-17(23(40)30-10-21(36)37)12-46-27(14-4-2-1-3-5-14)47-13-18(24(41)31-11-22(38)39)33-20(35)9-7-16(29)26(44)45/h1-5,15-18H,6-13,28-29H2,(H,30,40)(H,31,41)(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,42,43)(H,44,45)/t15-,16+,17+,18-,27? |
| InChIKey | PIQQHKNUDQAGPN-WFOXYISVSA-N |
| Mol Weight | 764.7 g/mol |
| Molecular Formula | C26H37AsN6O12S2 |
| Exact Mass | 764.112683 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KpEIX4SAZRx |
|---|---|
| Name | PHENYLARSONIC-ACID-DIGLUTATHIONE-COMPLEX |
| Compound Number | PA A-(GSH)2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H37AsN6O12S2 |
| InChI | InChI=1S/C26H37AsN6O12S2/c28-15(25(42)43)6-8-19(34)32-17(23(40)30-10-21(36)37)12-46-27(14-4-2-1-3-5-14)47-13-18(24(41)31-11-22(38)39)33-20(35)9-7-16(29)26(44)45/h1-5,15-18H,6-13,28-29H2,(H,30,40)(H,31,41)(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,42,43)(H,44,45)/t15-,16+,17+,18-,27? |
| InChIKey | PIQQHKNUDQAGPN-WFOXYISVSA-N |
| Literature Reference Author | T.NAKAYAMA,T.ISOBE,K.NAKAMIYA,H.S.EDMONDS,Y.SHIBATA,M.MORITA |
| Literature Reference Citation | MAGN.RES.CHEM.,43,543(2005) |
| Literature Reference DOI | 10.1002/mrc.1585 |
| Molecular Weight | 764.654 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU36088 |