| SpectraBase Compound ID | 9LPBkZgeFE6 |
|---|---|
| InChI | InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(34-2)17(28)6-11(13)4-5-26-16)15(23(32)33)10-35-24(12)37-25-22(31)21(30)20(29)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-31H,1,4-5,7,9H2,2H3,(H,32,33)/t12-,14+,16-,19+,20+,21-,22+,24+,25-/m1/s1 |
| InChIKey | XLTXRMBIJSESJQ-ZWPOPESTSA-N |
| Mol Weight | 523.5 g/mol |
| Molecular Formula | C25H33NO11 |
| Exact Mass | 523.205361 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNvMbcp1Xov |
|---|---|
| Name | 7-O-METHYL-N-DEACETYLISOIPECOSIDIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H33NO11 |
| InChI | InChI=1S/C25H33NO11/c1-3-12-14(7-16-13-8-18(34-2)17(28)6-11(13)4-5-26-16)15(23(32)33)10-35-24(12)37-25-22(31)21(30)20(29)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-31H,1,4-5,7,9H2,2H3,(H,32,33)/t12-,14+,16-,19+,20+,21-,22+,24+,25-/m1/s1 |
| InChIKey | XLTXRMBIJSESJQ-ZWPOPESTSA-N |
| Literature Reference Author | A.ITOH,T.TANAHASHI,M.TABATA,M.SHIKATA,M.KAKITE,M.NAGAI,N.NAG AKURA |
| Literature Reference Citation | PHYTOCHEM.,56,623(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00417-9 |
| Molecular Weight | 523.537 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN1835 |