| SpectraBase Compound ID | 9J9hmHK7DL9 |
|---|---|
| InChI | InChI=1S/C25H32O12/c1-11-6-17-20(13(8-26)24(33)36-17)14(11)9-35-25-23(32)22(31)21(30)18(37-25)10-34-19(29)5-3-12-2-4-15(27)16(28)7-12/h2-5,7,11,13-14,17-18,20-23,25-28,30-32H,6,8-10H2,1H3/b5-3+/t11-,13-,14+,17-,18-,20+,21-,22+,23-,25-/m1/s1 |
| InChIKey | RLIILNKNNUJZAL-SJLFYXLXSA-N |
| Mol Weight | 524.5 g/mol |
| Molecular Formula | C25H32O12 |
| Exact Mass | 524.189376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LPrBD5PLIHq |
|---|---|
| Name | GELSEMIOL-6'-TRANS-CAFFEOYL-1-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H32O12 |
| InChI | InChI=1S/C25H32O12/c1-11-6-17-20(13(8-26)24(33)36-17)14(11)9-35-25-23(32)22(31)21(30)18(37-25)10-34-19(29)5-3-12-2-4-15(27)16(28)7-12/h2-5,7,11,13-14,17-18,20-23,25-28,30-32H,6,8-10H2,1H3/b5-3+/t11-,13-,14+,17-,18-,20+,21-,22+,23-,25-/m1/s1 |
| InChIKey | RLIILNKNNUJZAL-SJLFYXLXSA-N |
| Literature Reference Author | Y.LI,M.ISHIBASHI,M.SATAKE,Y.OSHIMA,Y.OHIZUMI |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1103(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1103 |
| Molecular Weight | 524.522 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU20310 |