| SpectraBase Compound ID | JHgrhXUu2eP |
|---|---|
| InChI | InChI=1S/C56H84O19/c1-28(57)36-19-22-56(62)54(36,7)41(72-51(60)33-15-13-12-14-16-33)27-40-53(6)20-18-35(23-34(53)17-21-55(40,56)61)71-42-24-37(63-8)47(30(3)67-42)73-43-25-38(64-9)48(31(4)68-43)74-44-26-39(65-10)49(32(5)69-44)75-52-46(59)50(66-11)45(58)29(2)70-52/h12-17,29-32,35-50,52,58-59,61-62H,18-27H2,1-11H3/t29-,30+,31-,32+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-,46-,47+,48-,49+,50+,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | OKZWOVUSLSBKCS-JOKONKKOSA-N |
| Mol Weight | 1061.3 g/mol |
| Molecular Formula | C56H84O19 |
| Exact Mass | 1060.56068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mmks7f4yIY |
|---|---|
| Name | 12-O-BENZOYLLINEOLON-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H84O19 |
| InChI | InChI=1S/C56H84O19/c1-28(57)36-19-22-56(62)54(36,7)41(72-51(60)33-15-13-12-14-16-33)27-40-53(6)20-18-35(23-34(53)17-21-55(40,56)61)71-42-24-37(63-8)47(30(3)67-42)73-43-25-38(64-9)48(31(4)68-43)74-44-26-39(65-10)49(32(5)69-44)75-52-46(59)50(66-11)45(58)29(2)70-52/h12-17,29-32,35-50,52,58-59,61-62H,18-27H2,1-11H3/t29-,30+,31-,32+,35-,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-,46-,47+,48-,49+,50+,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | OKZWOVUSLSBKCS-JOKONKKOSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1061.272 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20257 |