| SpectraBase Compound ID | wXRn7B4R21 |
|---|---|
| InChI | InChI=1S/C22H22O12/c23-13-7-11(8-14(24)17(13)27)21(31)32-9-15-18(28)19(29)20(30)22(34-15)33-12-4-1-10(2-5-12)3-6-16(25)26/h1-8,15,18-20,22-24,27-30H,9H2,(H,25,26)/b6-3-/t15-,18+,19+,20-,22-/m1/s1 |
| InChIKey | UQIFTTHBJDWQSZ-IHOQXBNZSA-N |
| Mol Weight | 478.41 g/mol |
| Molecular Formula | C22H22O12 |
| Exact Mass | 478.111126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tx9wqQRpmW |
|---|---|
| Name | 4-O-(6'-O-GALLOYL-BETA-D-GLUCOPYRANOSYL)-CIS-PARA-COUMARIC-ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H22O12 |
| InChI | InChI=1S/C22H22O12/c23-13-7-11(8-14(24)17(13)27)21(31)32-9-15-18(28)19(29)20(30)22(34-15)33-12-4-1-10(2-5-12)3-6-16(25)26/h1-8,15,18-20,22-24,27-30H,9H2,(H,25,26)/b6-3-/t15-,18+,19+,20-,22-/m1/s1 |
| InChIKey | UQIFTTHBJDWQSZ-IHOQXBNZSA-N |
| Literature Reference Author | J.H.ISAZA,H.ITO,T.YOSHIDA |
| Literature Reference Citation | PHYTOCHEM.,58,321(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00247-3 |
| Molecular Weight | 478.409 g/mol |
| Solvent | ACETONE-D6:D2O |
| Source File Reference | UWLU2799 |