| SpectraBase Compound ID | ApaBBEthU2C |
|---|---|
| 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-KMNMWMRRSA-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 | FsODZayJ9qU |
|---|---|
| Name | QUINOVIC_ACID_3-O-BETA-GLUCOPYRANOSYL-(1->4)-BETA-FUCOPYRANOSYL-(28-1)-BETA-GLUCOPYRANOSYLESTER |
| 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-KMNMWMRRSA-N |
| Literature Reference Author | M.LAMIDI,E.OLLIVIER,R.FAURE,L.DEBRAUWER,L.NZE-EKEKANG,G.BALA NSARD |
| Literature Reference Citation | PLANTA.MED.,63,284(1997) |
| Literature Reference DOI | 10.1055/s-2006-957679 |
| Molecular Weight | 957.120 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP948 |