| SpectraBase Compound ID | 3q4yiXxKsgj |
|---|---|
| InChI | InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1 |
| InChIKey | QTENRWWVYAAPBI-YCRXJPFRSA-N |
| Mol Weight | 1457.4 g/mol |
| Molecular Formula | C42H84N14O36S3 |
| Exact Mass | 1456.433479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6gkg0yi1qfY |
|---|---|
| Name | STREPTOMYCIN, SULFATE (2:3) (SALT) |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 3810-74-0 |
| Comments | Some carbon atoms are unassigned |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | 2C21H39N7O12 3H2SO4 |
| InChI | InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1 |
| InChIKey | QTENRWWVYAAPBI-YCRXJPFRSA-N |
| Molecular Weight | 1457.38 |
| Solvent | Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20 |