| SpectraBase Compound ID | 3eyxdgOv83b |
|---|---|
| InChI | InChI=1S/C22H38N4O12S/c1-9(29)25-12-14(31)17(37-19-16(33)15(32)13(30)10(7-27)36-19)11(8-28)35-18(12)26-20(39)23-5-6-24-21(34)38-22(2,3)4/h7,10-19,28,30-33H,5-6,8H2,1-4H3,(H,24,34)(H,25,29)(H2,23,26,39)/t10-,11-,12-,13+,14-,15+,16-,17-,18-,19+/m1/s1 |
| InChIKey | XZWSAOYIKJXNFY-IIPQWQSDSA-N |
| Mol Weight | 582.6 g/mol |
| Molecular Formula | C22H38N4O12S |
| Exact Mass | 582.220694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CuraQeccmmr |
|---|---|
| Name | XZWSAOYIKJXNFY-IIPQWQSDSA-N |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H38N4O12S |
| InChI | InChI=1S/C22H38N4O12S/c1-9(29)25-12-14(31)17(37-19-16(33)15(32)13(30)10(7-27)36-19)11(8-28)35-18(12)26-20(39)23-5-6-24-21(34)38-22(2,3)4/h7,10-19,28,30-33H,5-6,8H2,1-4H3,(H,24,34)(H,25,29)(H2,23,26,39)/t10-,11-,12-,13+,14-,15+,16-,17-,18-,19+/m1/s1 |
| InChIKey | XZWSAOYIKJXNFY-IIPQWQSDSA-N |
| Literature Reference Author | C.E.KUPPER,R.R.ROSENCRANTZ,B.HENBEN,H.PELANTOVA,S.THOENES,A. DROZDOVA,V.KREN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,8,712(2012) |
| Literature Reference DOI | 10.3762/bjoc.8.80 |
| Molecular Weight | 582.623 g/mol |
| Solvent | D2O |
| Source File Reference | UWIR10535 |