![(3.beta.,5.beta.,14.beta.,17.beta.)-3-[(2,3,4,6-Tetra-O-benzyl.beta.-D-mannopyranosyl)-oxy]-14-hydroxycard-20(22)-enolide](/api/spectrum/JnqfczV0FCe/structure.png?h=300&w=458 "(3.beta.,5.beta.,14.beta.,17.beta.)-3-[(2,3,4,6-Tetra-O-benzyl.beta.-D-mannopyranosyl)-oxy]-14-hydroxycard-20(22)-enolide")
| SpectraBase Compound ID | G6Q2ENIkkbk |
|---|---|
| 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+/m1/s1 |
| InChIKey | WKAWNXUSZCIXCQ-IETZNASRSA-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 | JnqfczV0FCe |
|---|---|
| Name | (3-BETA,5-BETA,14-BETA,17-BETA)-3-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-MANNOPYRANOSYL)-OXY]-14-HYDROXYCARD-20(22)-ENOLIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/m1/s1 |
| InChIKey | WKAWNXUSZCIXCQ-IETZNASRSA-N |
| Literature Reference Author | H.RATHORE,A.H.L.FROM,K.AHMED,D.S.FULLERTON |
| Literature Reference Citation | J.MED.CHEM.,29,1945(1986) |
| Literature Reference DOI | 10.1021/jm00160a025 |
| Molecular Weight | 897.162 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK356 |