![CUNEATOSIDE_E;4-[4-BETA-O-BETA-D-APIOFURANOSYL-(1''->6')-BETA-D-GLUCOPYRANOSYL-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL]-BUTAN-2-ONE](/api/spectrum/Brclwu6pqe5/structure.png?h=300&w=458 "CUNEATOSIDE_E;4-[4-BETA-O-BETA-D-APIOFURANOSYL-(1''->6')-BETA-D-GLUCOPYRANOSYL-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL]-BUTAN-2-ONE")
| SpectraBase Compound ID | KkNCUK9vPRI |
|---|---|
| InChI | InChI=1S/C24H40O11/c1-12-7-14(8-23(3,4)15(12)6-5-13(2)26)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h14,16-22,25,27-31H,5-11H2,1-4H3/t14-,16+,17+,18-,19+,20-,21+,22+,24+/m1/s1 |
| InChIKey | OVWDRYCZWVUZQT-XYMOSRRKSA-N |
| Mol Weight | 504.6 g/mol |
| Molecular Formula | C24H40O11 |
| Exact Mass | 504.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Brclwu6pqe5 |
|---|---|
| Name | CUNEATOSIDE_E;4-[4-BETA-O-BETA-D-APIOFURANOSYL-(1''->6')-BETA-D-GLUCOPYRANOSYL-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL]-BUTAN-2-ONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H40O11 |
| InChI | InChI=1S/C24H40O11/c1-12-7-14(8-23(3,4)15(12)6-5-13(2)26)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h14,16-22,25,27-31H,5-11H2,1-4H3/t14-,16+,17+,18-,19+,20-,21+,22+,24+/m1/s1 |
| InChIKey | OVWDRYCZWVUZQT-XYMOSRRKSA-N |
| Literature Reference Author | J.CHANG,R.CASE |
| Literature Reference Citation | PHYTOCHEM.,66,2752(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.09.018 |
| Molecular Weight | 504.575 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ19783 |