| SpectraBase Compound ID | DiDhVdoIfy2 |
|---|---|
| InChI | InChI=1S/C59H86O23/c1-28(61)36-20-23-59(69)57(36,7)53(79-40(63)17-16-33-14-12-11-13-15-33)51(76-32(5)62)52-56(6)21-19-35(24-34(56)18-22-58(52,59)68)77-41-25-37(70-8)47(29(2)73-41)80-42-26-38(71-9)48(30(3)74-42)81-55-46(67)50(72-10)49(31(4)75-55)82-54-45(66)44(65)43(64)39(27-60)78-54/h11-18,29-31,35-39,41-55,60,64-69H,19-27H2,1-10H3/b17-16+/t29-,30-,31-,35+,36-,37+,38-,39-,41+,42+,43-,44+,45-,46-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56+,57+,58+,59-/m1/s1 |
| InChIKey | LYNUZIVIYRFCTD-BGGUIGOXSA-N |
| Mol Weight | 1163.3 g/mol |
| Molecular Formula | C59H86O23 |
| Exact Mass | 1162.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EctRHX2JJ8j |
|---|---|
| Name | CONDURANGOGENIN-E-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-6-DEOXY-3-O-METHYL-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H86O23 |
| InChI | InChI=1S/C59H86O23/c1-28(61)36-20-23-59(69)57(36,7)53(79-40(63)17-16-33-14-12-11-13-15-33)51(76-32(5)62)52-56(6)21-19-35(24-34(56)18-22-58(52,59)68)77-41-25-37(70-8)47(29(2)73-41)80-42-26-38(71-9)48(30(3)74-42)81-55-46(67)50(72-10)49(31(4)75-55)82-54-45(66)44(65)43(64)39(27-60)78-54/h11-18,29-31,35-39,41-55,60,64-69H,19-27H2,1-10H3/b17-16+/t29-,30-,31-,35+,36-,37+,38-,39-,41+,42+,43-,44+,45-,46-,47-,48-,49-,50+,51+,52-,53-,54+,55+,56+,57+,58+,59-/m1/s1 |
| InChIKey | LYNUZIVIYRFCTD-BGGUIGOXSA-N |
| Literature Reference Author | S.BERGER,P.JUNIOR,L.KOPANSKI |
| Literature Reference Citation | PHYTOCHEM.,27,1451(1988) |
| Literature Reference DOI | 10.1016/0031-9422(88)80214-0 |
| Molecular Weight | 1163.318 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1103 |