| SpectraBase Compound ID | 9jBrcfe1j6g |
|---|---|
| InChI | InChI=1S/C54H86O20/c1-14-26(2)48(58)71-38-25-37-50(8)17-16-33(21-32(50)15-18-53(37,60)54(61)20-19-52(59,31(7)55)51(38,54)9)70-39-22-34(62-10)44(28(4)66-39)72-40-23-35(63-11)45(29(5)67-40)73-41-24-36(64-12)46(30(6)68-41)74-49-43(57)47(65-13)42(56)27(3)69-49/h14-15,27-30,33-47,49,56-57,59-61H,16-25H2,1-13H3/b26-14+/t27?,28?,29?,30?,33-,34-,35+,36-,37+,38+,39-,40+,41-,42-,43-,44+,45-,46+,47+,49+,50-,51+,52+,53-,54+/m0/s1 |
| InChIKey | KIHAALAJJHCBAB-PIWJYUSLSA-N |
| Mol Weight | 1055.3 g/mol |
| Molecular Formula | C54H86O20 |
| Exact Mass | 1054.571245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8EozmSmaULG |
|---|---|
| Name | #13;12-O-TIGLOYLDEACYLMETAPLEXIGENIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOS |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O20 |
| InChI | InChI=1S/C54H86O20/c1-14-26(2)48(58)71-38-25-37-50(8)17-16-33(21-32(50)15-18-53(37,60)54(61)20-19-52(59,31(7)55)51(38,54)9)70-39-22-34(62-10)44(28(4)66-39)72-40-23-35(63-11)45(29(5)67-40)73-41-24-36(64-12)46(30(6)68-41)74-49-43(57)47(65-13)42(56)27(3)69-49/h14-15,27-30,33-47,49,56-57,59-61H,16-25H2,1-13H3/b26-14+/t27?,28?,29?,30?,33-,34-,35+,36-,37+,38+,39-,40+,41-,42-,43-,44+,45-,46+,47+,49+,50-,51+,52+,53-,54+/m0/s1 |
| InChIKey | KIHAALAJJHCBAB-PIWJYUSLSA-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 | 1055.265 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20269 |