| SpectraBase Compound ID | FDQgTR2ZC83 |
|---|---|
| InChI | InChI=1S/C29H45NO12/c1-16(2)8-6-4-5-7-9-22(32)30-13-17-10-11-19(20(12-17)38-3)41-29-27(37)25(35)24(34)21(42-29)15-40-28-26(36)23(33)18(31)14-39-28/h6,8,10-12,16,18,21,23-29,31,33-37H,4-5,7,9,13-15H2,1-3H3,(H,30,32)/b8-6+/t18-,21-,23+,24-,25+,26-,27-,28+,29-/m0/s1 |
| InChIKey | WMHYPPLKFBNOSH-ZQGLYGPFSA-N |
| Mol Weight | 599.7 g/mol |
| Molecular Formula | C29H45NO12 |
| Exact Mass | 599.294176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LFmpbXCB3n |
|---|---|
| Name | CAPSAICIN-4-O-(6-O-BETA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H45NO12 |
| InChI | InChI=1S/C29H45NO12/c1-16(2)8-6-4-5-7-9-22(32)30-13-17-10-11-19(20(12-17)38-3)41-29-27(37)25(35)24(34)21(42-29)15-40-28-26(36)23(33)18(31)14-39-28/h6,8,10-12,16,18,21,23-29,31,33-37H,4-5,7,9,13-15H2,1-3H3,(H,30,32)/b8-6+/t18-,21-,23+,24-,25+,26-,27-,28+,29-/m0/s1 |
| InChIKey | WMHYPPLKFBNOSH-ZQGLYGPFSA-N |
| Literature Reference Author | K.SHIMODA,S.KWON,A.UTSUKI,S.OHIWA,H.KATSURAGI,N.YONEMOTO,H.H AMADA,H.HAMADA |
| Literature Reference Citation | PHYTOCHEM.,68,1391(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.03.005 |
| Molecular Weight | 599.676 g/mol |
| Sample ID | 62510 |
| Solvent | CD3OD |