| SpectraBase Compound ID | LsDERofJkMX |
|---|---|
| InChI | InChI=1S/C26H34N2O9/c1-12(36-25-22(32)21(31)20(30)17(11-29)37-25)14-10-28(34)8-7-26-15-5-3-4-6-16(15)27-23(26)19(24(33)35-2)13(14)9-18(26)28/h3-6,12-14,17-18,20-22,25,27,29-32H,7-11H2,1-2H3/t12-,13-,14-,17+,18-,20+,21-,22+,25+,26+,28?/m0/s1 |
| InChIKey | MLXOKCCSKZUPCE-ZLBMKTLTSA-N |
| Mol Weight | 518.6 g/mol |
| Molecular Formula | C26H34N2O9 |
| Exact Mass | 518.226431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zirXfD5H0c |
|---|---|
| Name | ECHITAMIDINE-N-OXIDE-19-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34N2O9 |
| InChI | InChI=1S/C26H34N2O9/c1-12(36-25-22(32)21(31)20(30)17(11-29)37-25)14-10-28(34)8-7-26-15-5-3-4-6-16(15)27-23(26)19(24(33)35-2)13(14)9-18(26)28/h3-6,12-14,17-18,20-22,25,27,29-32H,7-11H2,1-2H3/t12-,13-,14-,17+,18-,20+,21-,22+,25+,26+,28?/m0/s1 |
| InChIKey | MLXOKCCSKZUPCE-ZLBMKTLTSA-N |
| Literature Reference Author | A.A.SALIM,M.J.GARSON,D.J.CRAIK |
| Literature Reference Citation | J.NAT.PROD.,67,1591(2004) |
| Literature Reference DOI | 10.1021/np0498612 |
| Molecular Weight | 518.564 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ8150 |