| SpectraBase Compound ID | 1ADCQiZfke |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-20-10-15-47(43(61)67-41-36(57)33(54)31(52)25(19-50)64-41)16-17-48(42(59)60)23(29(47)21(20)2)8-9-27-45(6)13-12-28(44(4,5)26(45)11-14-46(27,48)7)65-39-37(58)34(55)38(22(3)62-39)66-40-35(56)32(53)30(51)24(18-49)63-40/h8,20-22,24-41,49-58H,9-19H2,1-7H3,(H,59,60)/t20-,21+,22+,24+,25-,26?,27?,28+,29?,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41+,45+,46-,47+,48-/m1/s1 |
| InChIKey | SDMFWFQLYZEILE-RUGZUPTBSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FtXt7oqHyx |
|---|---|
| Name | QUINOVIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL-(28->1)-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O19 |
| InChI | InChI=1S/C48H76O19/c1-20-10-15-47(43(61)67-41-36(57)33(54)31(52)25(19-50)64-41)16-17-48(42(59)60)23(29(47)21(20)2)8-9-27-45(6)13-12-28(44(4,5)26(45)11-14-46(27,48)7)65-39-37(58)34(55)38(22(3)62-39)66-40-35(56)32(53)30(51)24(18-49)63-40/h8,20-22,24-41,49-58H,9-19H2,1-7H3,(H,59,60)/t20-,21+,22+,24+,25-,26?,27?,28+,29?,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41+,45+,46-,47+,48-/m1/s1 |
| InChIKey | SDMFWFQLYZEILE-RUGZUPTBSA-N |
| Literature Reference Author | G.J.FAN,Z.S.HE |
| Literature Reference Citation | PHYTOCHEM.,44,1139(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00660-7 |
| Molecular Weight | 957.120 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA424 |