| SpectraBase Compound ID | 8XJC3E8WPjQ |
|---|---|
| InChI | InChI=1S/C63H94O20/c1-14-34(2)58(66)78-39(7)61(67)26-27-63(69)60(61,9)48(80-49(64)21-20-40-18-16-15-17-19-40)33-47-59(8)24-23-42(28-41(59)22-25-62(47,63)68)79-50-30-44(71-11)55(36(4)75-50)82-52-32-46(73-13)57(38(6)77-52)83-53-31-45(72-12)56(37(5)76-53)81-51-29-43(70-10)54(65)35(3)74-51/h14-22,35-39,42-48,50-57,65,67-69H,23-33H2,1-13H3/b21-20+,34-14+/t35-,36-,37-,38-,39?,42?,43+,44+,45+,46-,47?,48?,50+,51-,52-,53+,54-,55-,56-,57+,59?,60?,61?,62?,63?/m1/s1 |
| InChIKey | QAQJZSCIDDATJH-ZIWRRUCKSA-N |
| Mol Weight | 1171.4 g/mol |
| Molecular Formula | C63H94O20 |
| Exact Mass | 1170.633845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6gdrWxuMWC |
|---|---|
| Name | WILFORIDINE-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 | C63H94O20 |
| InChI | InChI=1S/C63H94O20/c1-14-34(2)58(66)78-39(7)61(67)26-27-63(69)60(61,9)48(80-49(64)21-20-40-18-16-15-17-19-40)33-47-59(8)24-23-42(28-41(59)22-25-62(47,63)68)79-50-30-44(71-11)55(36(4)75-50)82-52-32-46(73-13)57(38(6)77-52)83-53-31-45(72-12)56(37(5)76-53)81-51-29-43(70-10)54(65)35(3)74-51/h14-22,35-39,42-48,50-57,65,67-69H,23-33H2,1-13H3/b21-20+,34-14+/t35-,36-,37-,38-,39?,42?,43+,44+,45+,46-,47?,48?,50+,51-,52-,53+,54-,55-,56-,57+,59?,60?,61?,62?,63?/m1/s1 |
| InChIKey | QAQJZSCIDDATJH-ZIWRRUCKSA-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 | 1171.427 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1249 |