| SpectraBase Compound ID | JewRAIjXMnA |
|---|---|
| InChI | InChI=1S/C21H28O10/c1-7-3-10(23)14-8(2)20(28)31-19(14)15-9(4-11(24)13(7)15)6-29-21-18(27)17(26)16(25)12(5-22)30-21/h4,8,10,12,14-19,21-23,25-27H,3,5-6H2,1-2H3/t8?,10-,12+,14+,15?,16+,17-,18+,19-,21+/m0/s1 |
| InChIKey | ZEMSXERQBUSFBA-KRCQMSMMSA-N |
| Mol Weight | 440.45 g/mol |
| Molecular Formula | C21H28O10 |
| Exact Mass | 440.168247 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hz5WFjb3Ung |
|---|---|
| Name | CICHORISIDE B |
| Compound Number | 406 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C21H28O10/c1-7-3-10(23)14-8(2)20(28)31-19(14)15-9(4-11(24)13(7)15)6-29-21-18(27)17(26)16(25)12(5-22)30-21/h4,8,10,12,14-19,21-23,25-27H,3,5-6H2,1-2H3/t8?,10-,12+,14+,15?,16+,17-,18+,19-,21+/m0/s1 |
| InChIKey | ZEMSXERQBUSFBA-KRCQMSMMSA-N |
| Literature Reference | A.UR-RAHMAN,V.U.AHMAD NAT.PROD.VOL.1 |
| Solvent | Pyridine-d5 |