| SpectraBase Compound ID | BWQqyP7Y4nh |
|---|---|
| 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+/m1/s1 |
| InChIKey | SLEWBLORIVKANQ-PMNWJEMTSA-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 | JoK12tggC2 |
|---|---|
| Name | FRAXIMALACOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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+/m1/s1 |
| InChIKey | SLEWBLORIVKANQ-PMNWJEMTSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |