| SpectraBase Compound ID | ELylVcxsEme |
|---|---|
| InChI | InChI=1S/C43H46O20/c1-23(45)59-40-33(21-57-34(49)16-9-25-6-13-28(47)30(18-25)55-2)62-43(63-42-39(54)38(53)37(52)32(20-44)60-42,22-58-35(50)15-8-24-4-11-27(46)12-5-24)41(40)61-36(51)17-10-26-7-14-29(48)31(19-26)56-3/h4-19,32-33,37-42,44,46-48,52-54H,20-22H2,1-3H3/b15-8+,16-9+,17-10+/t32-,33-,37-,38+,39-,40-,41+,42-,43+/m0/s1 |
| InChIKey | NWHZEENLJLTZEU-TZVXYTNKSA-N |
| Mol Weight | 882.8 g/mol |
| Molecular Formula | C43H46O20 |
| Exact Mass | 882.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGAVfRKMZ3N |
|---|---|
| Name | SMILASIDE_D;1-PARA-COUMAROYL-3,6-DIFERULOYL-4-ACETYL_SUCROSE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H46O20 |
| InChI | InChI=1S/C43H46O20/c1-23(45)59-40-33(21-57-34(49)16-9-25-6-13-28(47)30(18-25)55-2)62-43(63-42-39(54)38(53)37(52)32(20-44)60-42,22-58-35(50)15-8-24-4-11-27(46)12-5-24)41(40)61-36(51)17-10-26-7-14-29(48)31(19-26)56-3/h4-19,32-33,37-42,44,46-48,52-54H,20-22H2,1-3H3/b15-8+,16-9+,17-10+/t32-,33-,37-,38+,39-,40-,41+,42-,43+/m0/s1 |
| InChIKey | NWHZEENLJLTZEU-TZVXYTNKSA-N |
| Literature Reference Author | Y.H.KUO,Y.W.HSU,C.C.LIAW,J.K.LEE,H.C.HUANG,L.M.Y.KUO |
| Literature Reference Citation | J.NAT.PROD.,68,1475(2005) |
| Literature Reference DOI | 10.1021/np050109q |
| Molecular Weight | 882.826 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ13194 |