| SpectraBase Compound ID | 5rXO238xfnD |
|---|---|
| InChI | InChI=1S/C18H29N5O10S2/c19-8(17(30)31)1-3-12(24)22-11(7-35)16(29)23-9(18(32)33)2-4-13(25)21-10(6-34)15(28)20-5-14(26)27/h8-11,34-35H,1-7,19H2,(H,20,28)(H,21,25)(H,22,24)(H,23,29)(H,26,27)(H,30,31)(H,32,33) |
| InChIKey | CGZITCMVSSNQPE-UHFFFAOYSA-N |
| Mol Weight | 539.58 g/mol |
| Molecular Formula | C18H29N5O10S2 |
| Exact Mass | 539.135584 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4aLNITfaq2 |
|---|---|
| Name | PHYTOCHELATIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H29N5O10S2 |
| InChI | InChI=1S/C18H29N5O10S2/c19-8(17(30)31)1-3-12(24)22-11(7-35)16(29)23-9(18(32)33)2-4-13(25)21-10(6-34)15(28)20-5-14(26)27/h8-11,34-35H,1-7,19H2,(H,20,28)(H,21,25)(H,22,24)(H,23,29)(H,26,27)(H,30,31)(H,32,33) |
| InChIKey | CGZITCMVSSNQPE-UHFFFAOYSA-N |
| Literature Reference Author | E.YOSHIMURA,R.KOBAYASHI,K.FURIHATA,H.KAJIWARA,S.YAMAZAKI |
| Literature Reference Citation | MAGN.RES.CHEM.,38,141(2000) |
| Literature Reference DOI | 10.1002/(sici)1097-458x(200002)38:2<141::aid-mrc599>3.3.co;2-6 |
| Molecular Weight | 539.576 g/mol |
| Solvent | D2O |
| Source File Reference | UWBS1254 |