| SpectraBase Compound ID | 5DiKc8aQ9v8 |
|---|---|
| InChI | InChI=1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10-,11-,12+,13-,14-,15-,17+/m0/s1 |
| InChIKey | MQBCDKMPXVYCGO-FXJWORBPSA-N |
| Mol Weight | 486.49 g/mol |
| Molecular Formula | C17H30N2O12S |
| Exact Mass | 486.151946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hmsns71FX7z |
|---|---|
| Name | MQBCDKMPXVYCGO-FXJWORBPSA-N |
| Compound Number | MSH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H30N2O12S |
| InChI | InChI=1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10-,11-,12+,13-,14-,15-,17+/m0/s1 |
| InChIKey | MQBCDKMPXVYCGO-FXJWORBPSA-N |
| Literature Reference Author | S.LEE,J.P.N.ROSAZZA |
| Literature Reference Citation | ORG.LETTERS,6,365(2004) |
| Literature Reference DOI | 10.1021/ol0362008 |
| Molecular Weight | 486.491 g/mol |
| Sample ID | 50222 |
| Solvent | D2O |