| SpectraBase Compound ID | Em6758buprd |
|---|---|
| InChI | InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-7,14,16,18-23,25-27H,8-9H2/t14-,16-,18-,19+,20-,21-/m0/s1 |
| InChIKey | GPGFGFUBECSNTG-PRRLNRMFSA-N |
| Mol Weight | 418.4 g/mol |
| Molecular Formula | C21H22O9 |
| Exact Mass | 418.126382 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQmPIB1vEUQ |
|---|---|
| Name | PINOCEMBRIN-7-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O9 |
| InChI | InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-7,14,16,18-23,25-27H,8-9H2/t14-,16-,18-,19+,20-,21-/m0/s1 |
| InChIKey | GPGFGFUBECSNTG-PRRLNRMFSA-N |
| Literature Reference Author | C.W.LI,C.B.CUI |
| Literature Reference Citation | MOLECULES,19,21363(2014) |
| Literature Reference DOI | 10.3390/molecules191221363 |
| Molecular Weight | 418.400 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU81673 |