| SpectraBase Compound ID | 5Gk9WMo3pCS |
|---|---|
| InChI | InChI=1S/C21H28O14/c22-6-12-16(28)19(31)21(8-23,34-12)35-20-18(30)17(29)15(27)13(33-20)7-32-14(26)4-2-9-1-3-10(24)11(25)5-9/h1-5,12-13,15-20,22-25,27-31H,6-8H2/b4-2+/t12-,13-,15-,16+,17+,18-,19+,20-,21+/m0/s1 |
| InChIKey | UZUDNVXQOKQTDO-ARVGVXGKSA-N |
| Mol Weight | 504.44 g/mol |
| Molecular Formula | C21H28O14 |
| Exact Mass | 504.147906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QySsP6tHjR |
|---|---|
| Name | 6-O-CAFFEOYL-BETA-D-FRUCTOFURANOSYL-(2-1)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O14 |
| InChI | InChI=1S/C21H28O14/c22-6-12-16(28)19(31)21(8-23,34-12)35-20-18(30)17(29)15(27)13(33-20)7-32-14(26)4-2-9-1-3-10(24)11(25)5-9/h1-5,12-13,15-20,22-25,27-31H,6-8H2/b4-2+/t12-,13-,15-,16+,17+,18-,19+,20-,21+/m0/s1 |
| InChIKey | UZUDNVXQOKQTDO-ARVGVXGKSA-N |
| Literature Reference Author | M.WANG,Y.SHAO,J.LI,N.ZHU,M.RANGARAJAN,E.J.LAVOIE,C.T.HO |
| Literature Reference Citation | J.NAT.PROD.,62,454(1999) |
| Literature Reference DOI | 10.1021/np980436g |
| Molecular Weight | 504.445 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP7961 |