| SpectraBase Compound ID | 5Kcy5FOBOhD |
|---|---|
| InChI | InChI=1S/C31H43NO16/c1-3-13-15(7-17-14-8-18(34)19(43-2)6-12(14)4-5-32-17)16(28(41)42)10-44-29(13)48-31-27(40)25(38)23(36)21(47-31)11-45-30-26(39)24(37)22(35)20(9-33)46-30/h3,6,8,10,13,15,17,20-27,29-40H,1,4-5,7,9,11H2,2H3,(H,41,42)/t13-,15+,17-,20+,21+,22+,23+,24-,25-,26+,27+,29+,30-,31-/m0/s1 |
| InChIKey | FTLMDSQFEONTKX-SFQSHTATSA-N |
| Mol Weight | 685.7 g/mol |
| Molecular Formula | C31H43NO16 |
| Exact Mass | 685.258184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEMm1rLYNhC |
|---|---|
| Name | 6-O-METHYL-N-DEACETYL-6''-O-ALPHA-D-GLUCOPYRANOSYL-ISOIPECOSIDIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H43NO16 |
| InChI | InChI=1S/C31H43NO16/c1-3-13-15(7-17-14-8-18(34)19(43-2)6-12(14)4-5-32-17)16(28(41)42)10-44-29(13)48-31-27(40)25(38)23(36)21(47-31)11-45-30-26(39)24(37)22(35)20(9-33)46-30/h3,6,8,10,13,15,17,20-27,29-40H,1,4-5,7,9,11H2,2H3,(H,41,42)/t13-,15+,17-,20+,21+,22+,23+,24-,25-,26+,27+,29+,30-,31-/m0/s1 |
| InChIKey | FTLMDSQFEONTKX-SFQSHTATSA-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 | 685.680 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN1837 |