| SpectraBase Compound ID | 5KCMIUlFpdX |
|---|---|
| InChI | InChI=1S/C35H28O20/c36-14-8-17(39)24-22(9-14)52-30(11-1-2-15(37)16(38)3-11)31(28(24)47)55-35-32(54-34(50)13-6-20(42)26(45)21(43)7-13)29(48)27(46)23(53-35)10-51-33(49)12-4-18(40)25(44)19(41)5-12/h1-9,23,27,29,32,35-46,48H,10H2/t23-,27+,29+,32-,35+/m1/s1 |
| InChIKey | YMGFSEXNBFRWPP-LMTGLJIISA-N |
| Mol Weight | 768.6 g/mol |
| Molecular Formula | C35H28O20 |
| Exact Mass | 768.117393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmtEFa6pC6x |
|---|---|
| Name | QUERCETIN-3-O-(2'',6''-DIGALLOYL)-BETA-D-GALACTOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H28O20 |
| InChI | InChI=1S/C35H28O20/c36-14-8-17(39)24-22(9-14)52-30(11-1-2-15(37)16(38)3-11)31(28(24)47)55-35-32(54-34(50)13-6-20(42)26(45)21(43)7-13)29(48)27(46)23(53-35)10-51-33(49)12-4-18(40)25(44)19(41)5-12/h1-9,23,27,29,32,35-46,48H,10H2/t23-,27+,29+,32-,35+/m1/s1 |
| InChIKey | YMGFSEXNBFRWPP-LMTGLJIISA-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 | 768.595 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP512 |