| SpectraBase Compound ID | HGN5hekGx9j |
|---|---|
| InChI | InChI=1S/C54H86O19/c1-14-26(2)49(58)70-39-25-38-51(8)18-16-33(21-32(51)15-19-53(38,59)54(60)20-17-34(27(3)55)52(39,54)9)69-40-22-35(61-10)45(29(5)65-40)71-41-23-36(62-11)46(30(6)66-41)72-42-24-37(63-12)47(31(7)67-42)73-50-44(57)48(64-13)43(56)28(4)68-50/h14-15,28-31,33-48,50,56-57,59-60H,16-25H2,1-13H3/b26-14+/t28?,29?,30?,31?,33-,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45+,46-,47+,48+,50+,51-,52-,53-,54+/m0/s1 |
| InChIKey | ZQYSDKBCTKGHNW-YFERKHTPSA-N |
| Mol Weight | 1039.3 g/mol |
| Molecular Formula | C54H86O19 |
| Exact Mass | 1038.576331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H9E2uicN6JD |
|---|---|
| Name | 12-O-TIGLOYLLINEOLON-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O19 |
| InChI | InChI=1S/C54H86O19/c1-14-26(2)49(58)70-39-25-38-51(8)18-16-33(21-32(51)15-19-53(38,59)54(60)20-17-34(27(3)55)52(39,54)9)69-40-22-35(61-10)45(29(5)65-40)71-41-23-36(62-11)46(30(6)66-41)72-42-24-37(63-12)47(31(7)67-42)73-50-44(57)48(64-13)43(56)28(4)68-50/h14-15,28-31,33-48,50,56-57,59-60H,16-25H2,1-13H3/b26-14+/t28?,29?,30?,31?,33-,34-,35-,36+,37-,38+,39+,40-,41+,42-,43-,44-,45+,46-,47+,48+,50+,51-,52-,53-,54+/m0/s1 |
| InChIKey | ZQYSDKBCTKGHNW-YFERKHTPSA-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 | 1039.265 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20268 |