| SpectraBase Compound ID | 5eGowpGaVG3 |
|---|---|
| InChI | InChI=1S/C55H88O21/c1-26(2)27(3)19-40(58)73-39-24-38-51(8)15-14-33(20-32(51)13-16-54(38,63)55(64)18-17-53(62,31(7)57)52(39,55)9)71-41-21-34(65-10)47(28(4)68-41)74-42-22-35(66-11)48(29(5)69-42)75-43-23-36(67-12)49(30(6)70-43)76-50-46(61)45(60)44(59)37(25-56)72-50/h13,19,26,28-30,33-39,41-50,56,59-64H,14-18,20-25H2,1-12H3/b27-19+/t28-,29+,30-,33+,34+,35-,36-,37+,38-,39-,41+,42-,43+,44+,45-,46+,47-,48+,49-,50-,51+,52-,53-,54+,55-/m1/s1 |
| InChIKey | IVRMIASBKXXYNR-ODOLHNHPSA-N |
| Mol Weight | 1085.3 g/mol |
| Molecular Formula | C55H88O21 |
| Exact Mass | 1084.58181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BwNliQW4ir |
|---|---|
| Name | CAUDATIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H88O21 |
| InChI | InChI=1S/C55H88O21/c1-26(2)27(3)19-40(58)73-39-24-38-51(8)15-14-33(20-32(51)13-16-54(38,63)55(64)18-17-53(62,31(7)57)52(39,55)9)71-41-21-34(65-10)47(28(4)68-41)74-42-22-35(66-11)48(29(5)69-42)75-43-23-36(67-12)49(30(6)70-43)76-50-46(61)45(60)44(59)37(25-56)72-50/h13,19,26,28-30,33-39,41-50,56,59-64H,14-18,20-25H2,1-12H3/b27-19+/t28-,29+,30-,33+,34+,35-,36-,37+,38-,39-,41+,42-,43+,44+,45-,46+,47-,48+,49-,50-,51+,52-,53-,54+,55-/m1/s1 |
| InChIKey | IVRMIASBKXXYNR-ODOLHNHPSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,44,917(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00640-1 |
| Molecular Weight | 1085.291 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA329 |