| SpectraBase Compound ID | 4vqljAQKNqE |
|---|---|
| InChI | InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26+,28+/m1/s1 |
| InChIKey | PXGWEUQZDRUMRE-WYWWJIMHSA-N |
| Mol Weight | 616.48 g/mol |
| Molecular Formula | C28H24O16 |
| Exact Mass | 616.106435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5GnflghjgsK |
|---|---|
| Name | QUERCETIN-3-O-(2''-GALLOYL)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H24O16 |
| InChI | InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26+,28+/m1/s1 |
| InChIKey | PXGWEUQZDRUMRE-WYWWJIMHSA-N |
| Literature Reference Author | H.J.KIM,E.R.WOO,C.G.SHIN,H.PARK |
| Literature Reference Citation | J.NAT.PROD.,61,145(1998) |
| Literature Reference DOI | 10.1021/np970171q |
| Molecular Weight | 616.489 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP513 |