| SpectraBase Compound ID | JCLU6rd3AXo |
|---|---|
| InChI | InChI=1S/C56H66O24/c1-3-35-37(23-43(61)75-33-13-7-29(8-14-33)17-20-57)40(28-74-53(35)79-55-49(67)47(65)45(63)41(25-58)77-55)52(70)72-22-19-31-9-15-34(16-10-31)76-44(62)24-38-36(4-2)54(80-56-50(68)48(66)46(64)42(26-59)78-56)73-27-39(38)51(69)71-21-18-30-5-11-32(60)12-6-30/h3-16,27-28,37-38,41-42,45-50,53-60,63-68H,17-26H2,1-2H3/b35-3+,36-4+/t37-,38-,41-,42-,45-,46-,47+,48+,49-,50-,53-,54-,55+,56+/m0/s1 |
| InChIKey | SLEWBLORIVKANQ-GKGSQRGMSA-N |
| Mol Weight | 1123.1 g/mol |
| Molecular Formula | C56H66O24 |
| Exact Mass | 1122.394403 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ncvia30reW |
|---|---|
| Name | FRAXIMALACOSIDE |
| Compound Number | 122 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H66O24 |
| InChI | InChI=1S/C56H66O24/c1-3-35-37(23-43(61)75-33-13-7-29(8-14-33)17-20-57)40(28-74-53(35)79-55-49(67)47(65)45(63)41(25-58)77-55)52(70)72-22-19-31-9-15-34(16-10-31)76-44(62)24-38-36(4-2)54(80-56-50(68)48(66)46(64)42(26-59)78-56)73-27-39(38)51(69)71-21-18-30-5-11-32(60)12-6-30/h3-16,27-28,37-38,41-42,45-50,53-60,63-68H,17-26H2,1-2H3/b35-3+,36-4+/t37-,38-,41-,42-,45-,46-,47+,48+,49-,50-,53-,54-,55+,56+/m0/s1 |
| InChIKey | SLEWBLORIVKANQ-GKGSQRGMSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,689(2007) |
| Literature Reference DOI | 10.1248/cpb.55.689 |
| Molecular Weight | 1123.126 g/mol |
| Sample ID | 37534 |
| Solvent | CD3OD |