| SpectraBase Compound ID | CTw9VSOjGsd |
|---|---|
| InChI | InChI=1S/C16H22O11.Na/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23;/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23);/q;+1/p-1/t6-,8+,9-,10+,11-,12+,14+,15-,16+;/m1./s1 |
| InChIKey | IGNYNUKVDFYNIB-NITRTAANSA-M |
| Mol Weight | 412.32 g/mol |
| Molecular Formula | C16H21NaO11 |
| Exact Mass | 412.098156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84e6DYwqCdo |
|---|---|
| Name | MONOTROPEIN-SALT |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H21NaO11 |
| InChI | InChI=1S/C16H22O11.Na/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23;/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23);/q;+1/p-1/t6-,8+,9-,10+,11-,12+,14+,15-,16+;/m1./s1 |
| InChIKey | IGNYNUKVDFYNIB-NITRTAANSA-M |
| Literature Reference Author | F.C.V.D.ARAUJO,F.G.MARQUES,C.C.D.SILVA,S.M.D.O.SANTIN,C.V.NA KAMURA,M.L.M.ZAMUNER |
| Literature Reference Citation | QUIM.NOVA,32,1760(2009) |
| Literature Reference DOI | 10.1590/s0100-40422009000700015 |
| Molecular Weight | 412.326 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT11990 |