| SpectraBase Compound ID | CNP0v3sbNs9 |
|---|---|
| InChI | InChI=1S/C58H86O19/c1-31-50(61)39(65-8)26-47(69-31)75-52-33(3)71-49(28-41(52)67-10)77-53-34(4)72-48(29-42(53)68-11)76-51-32(2)70-46(27-40(51)66-9)73-38-20-21-54(6)37(25-38)19-22-57(63)43(54)30-44(74-45(60)18-17-36-15-13-12-14-16-36)55(7)56(62,35(5)59)23-24-58(55,57)64/h12-19,31-34,38-44,46-53,61-64H,20-30H2,1-11H3/b18-17+/t31-,32+,33+,34+,38-,39+,40-,41-,42+,43+,44+,46-,47+,48+,49-,50-,51+,52+,53-,54-,55+,56+,57-,58+/m0/s1 |
| InChIKey | WXYGKQHQSYONAN-VWTQWWFTSA-N |
| Mol Weight | 1087.3 g/mol |
| Molecular Formula | C58H86O19 |
| Exact Mass | 1086.576331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfXj9CbxR5a |
|---|---|
| Name | KIDJORANINE-3-O-ALPHA-L-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-ALPHA-L-DIGINOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H86O19 |
| InChI | InChI=1S/C58H86O19/c1-31-50(61)39(65-8)26-47(69-31)75-52-33(3)71-49(28-41(52)67-10)77-53-34(4)72-48(29-42(53)68-11)76-51-32(2)70-46(27-40(51)66-9)73-38-20-21-54(6)37(25-38)19-22-57(63)43(54)30-44(74-45(60)18-17-36-15-13-12-14-16-36)55(7)56(62,35(5)59)23-24-58(55,57)64/h12-19,31-34,38-44,46-53,61-64H,20-30H2,1-11H3/b18-17+/t31-,32+,33+,34+,38-,39+,40-,41-,42+,43+,44+,46-,47+,48+,49-,50-,51+,52+,53-,54-,55+,56+,57-,58+/m0/s1 |
| InChIKey | WXYGKQHQSYONAN-VWTQWWFTSA-N |
| Literature Reference Author | S.TSUKAMOTO,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,2294(1985) |
| Literature Reference DOI | 10.1248/cpb.33.2294 |
| Molecular Weight | 1087.309 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1246 |