![ESCULETIN;6-O-BETA-D-[6'-O-(3-HYDROXY-3-METHYLGLUTARYL)]-GLUCOPYRANOSIDE](/api/spectrum/D8bbDx8eFyQ/structure.png?h=300&w=458 "ESCULETIN;6-O-BETA-D-[6'-O-(3-HYDROXY-3-METHYLGLUTARYL)]-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | U1YTPxtvMh |
|---|---|
| InChI | InChI=1S/C21H24O13/c1-21(30,6-14(23)24)7-16(26)31-8-13-17(27)18(28)19(29)20(34-13)33-12-4-9-2-3-15(25)32-11(9)5-10(12)22/h2-5,13,17-20,22,27-30H,6-8H2,1H3,(H,23,24)/t13-,17-,18+,19-,20-,21?/m0/s1 |
| InChIKey | DJGOBEPTBDKYDU-LCNGLGAVSA-N |
| Mol Weight | 484.41 g/mol |
| Molecular Formula | C21H24O13 |
| Exact Mass | 484.121691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D8bbDx8eFyQ |
|---|---|
| Name | ESCULETIN;6-O-BETA-D-[6'-O-(3-HYDROXY-3-METHYLGLUTARYL)]-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H24O13 |
| InChI | InChI=1S/C21H24O13/c1-21(30,6-14(23)24)7-16(26)31-8-13-17(27)18(28)19(29)20(34-13)33-12-4-9-2-3-15(25)32-11(9)5-10(12)22/h2-5,13,17-20,22,27-30H,6-8H2,1H3,(H,23,24)/t13-,17-,18+,19-,20-,21?/m0/s1 |
| InChIKey | DJGOBEPTBDKYDU-LCNGLGAVSA-N |
| Literature Reference Author | M.A.DUBOIS,M.WIERER,H.WAGNER |
| Literature Reference Citation | PHYTOCHEM.,29,3369(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80221-2 |
| Molecular Weight | 484.414 g/mol |
| Solvent | DMSO-D6:TFA-D6 |
| Source File Reference | UWLU26832 |