| SpectraBase Compound ID | 7sdXQeE4WVy |
|---|---|
| InChI | InChI=1S/C57H84O22/c1-28-49(77-44-24-37(69-8)50(29(2)72-44)78-45-25-38(70-9)51(30(3)73-45)79-52-48(64)47(63)46(62)39(27-58)75-52)36(68-7)23-43(71-28)74-35-17-18-53(5)33(22-35)16-19-56(66)40(53)26-41(54(6)55(65,31(4)59)20-21-57(54,56)67)76-42(61)15-12-32-10-13-34(60)14-11-32/h10-16,28-30,35-41,43-52,58,60,62-67H,17-27H2,1-9H3/b15-12+/t28-,29+,30-,35+,36-,37-,38+,39+,40?,41-,43+,44-,45+,46+,47-,48+,49-,50+,51-,52-,53?,54?,55-,56+,57-/m1/s1 |
| InChIKey | GHXBXPWGPDQWPN-ZSWJTAJKSA-N |
| Mol Weight | 1121.3 g/mol |
| Molecular Formula | C57H84O22 |
| Exact Mass | 1120.545424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YyANB0hP0L |
|---|---|
| Name | 12-O-(PARA-COUMAROYL)-DEACETYLMETAPLEXIGENIN_3-BETA-O-GLUCOPYRANOSYL-(1->)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRA |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H84O22 |
| InChI | InChI=1S/C57H84O22/c1-28-49(77-44-24-37(69-8)50(29(2)72-44)78-45-25-38(70-9)51(30(3)73-45)79-52-48(64)47(63)46(62)39(27-58)75-52)36(68-7)23-43(71-28)74-35-17-18-53(5)33(22-35)16-19-56(66)40(53)26-41(54(6)55(65,31(4)59)20-21-57(54,56)67)76-42(61)15-12-32-10-13-34(60)14-11-32/h10-16,28-30,35-41,43-52,58,60,62-67H,17-27H2,1-9H3/b15-12+/t28-,29+,30-,35+,36-,37-,38+,39+,40?,41-,43+,44-,45+,46+,47-,48+,49-,50+,51-,52-,53?,54?,55-,56+,57-/m1/s1 |
| InChIKey | GHXBXPWGPDQWPN-ZSWJTAJKSA-N |
| Literature Reference Author | G.CIOFFI,R.SANOGO,A.VASSALLO,F.D.PIAZ,G.AUTORE,S.MARZOCCO,N. DETOMMASI |
| Literature Reference Citation | J.NAT.PROD.,69,625(2006) |
| Literature Reference DOI | 10.1021/np050493r |
| Molecular Weight | 1121.281 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18263 |