| SpectraBase Compound ID | 5zVaKfIZBaP |
|---|---|
| InChI | InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)/t16-,20-,22+,23-,26+,27?/m1/s1 |
| InChIKey | ZALWWUJLKFBCQF-ZKZRXTDRSA-N |
| Mol Weight | 592.51 g/mol |
| Molecular Formula | C27H28O15 |
| Exact Mass | 592.14282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jR9w8T4zRV |
|---|---|
| Name | KAEMPFEROL-3-O-BETA-D-GLUCOPYRANOSIDE-6''-(3-HYDROXY-3-METHYL-GLUTARATE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H28O15 |
| InChI | InChI=1S/C27H28O15/c1-27(38,8-17(31)32)9-18(33)39-10-16-20(34)22(36)23(37)26(41-16)42-25-21(35)19-14(30)6-13(29)7-15(19)40-24(25)11-2-4-12(28)5-3-11/h2-7,16,20,22-23,26,28-30,34,36-38H,8-10H2,1H3,(H,31,32)/t16-,20-,22+,23-,26+,27?/m1/s1 |
| InChIKey | ZALWWUJLKFBCQF-ZKZRXTDRSA-N |
| Literature Reference Author | M.A.BERHOW,R.D.BENNETT,S.M.POLING,S.VANNIER,T.HIDAKA,M.OMURA |
| Literature Reference Citation | PHYTOCHEM.,36,1225(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89641-7 |
| Molecular Weight | 592.510 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMS26173 |