![(3.beta.,5.beta.,14.beta.,17.beta.)-3-[(2,3,4,6-Tetra-O-benzyl.alpha.-L-glucopyranosyl)-oxy]-14-hydroxy-card-20(22)-enolide](/api/spectrum/E9oPkL9IJTE/structure.png?h=300&w=458 "(3.beta.,5.beta.,14.beta.,17.beta.)-3-[(2,3,4,6-Tetra-O-benzyl.alpha.-L-glucopyranosyl)-oxy]-14-hydroxy-card-20(22)-enolide")
| SpectraBase Compound ID | 9q9mTjYyleU |
|---|---|
| InChI | InChI=1S/C57H68O9/c1-55-28-25-45(32-44(55)23-24-48-47(55)26-29-56(2)46(27-30-57(48,56)59)43-31-50(58)61-37-43)65-54-53(64-36-42-21-13-6-14-22-42)52(63-35-41-19-11-5-12-20-41)51(62-34-40-17-9-4-10-18-40)49(66-54)38-60-33-39-15-7-3-8-16-39/h3-22,31,44-49,51-54,59H,23-30,32-38H2,1-2H3/t44?,45?,46?,47-,48-,49?,51?,52?,53?,54?,55-,56-,57+/m0/s1 |
| InChIKey | WKAWNXUSZCIXCQ-KDZPTYIGSA-N |
| Mol Weight | 897.2 g/mol |
| Molecular Formula | C57H68O9 |
| Exact Mass | 896.486334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9oPkL9IJTE |
|---|---|
| Name | (3.beta.,5.beta.,14.beta.,17.beta.)-3-[(2,3,4,6)-Tetra-O-benzyl.alpha.-L-mannopyranosyl)-oxy]-14-hydroxycard-20(22)-enolide |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C57H68O9 |
| InChI | InChI=1S/C57H68O9/c1-55-28-25-45(32-44(55)23-24-48-47(55)26-29-56(2)46(27-30-57(48,56)59)43-31-50(58)61-37-43)65-54-53(64-36-42-21-13-6-14-22-42)52(63-35-41-19-11-5-12-20-41)51(62-34-40-17-9-4-10-18-40)49(66-54)38-60-33-39-15-7-3-8-16-39/h3-22,31,44-49,51-54,59H,23-30,32-38H2,1-2H3/t44?,45?,46?,47-,48-,49?,51?,52?,53?,54?,55-,56-,57+/m0/s1 |
| InChIKey | WKAWNXUSZCIXCQ-KDZPTYIGSA-N |
| Instrument Name | SF = 400 MHz |
| Literature Reference | J. Med. Chem. 29, 1945 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |