![Quinovic-acid-3.beta.-O-[.beta.-D-glucopyranosyl-(1->3).beta.-D-fucopyranosyl]-(27->1).beta.-D-glucopyranosyl-ester](/api/spectrum/E18MEbuVELn/structure.png?h=300&w=458 "Quinovic-acid-3.beta.-O-[.beta.-D-glucopyranosyl-(1->3).beta.-D-fucopyranosyl]-(27->1).beta.-D-glucopyranosyl-ester")
| SpectraBase Compound ID | 4KBwPxyZdek |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-20-10-15-47(42(59)60)16-17-48(43(61)67-40-36(57)34(55)32(53)25(19-50)64-40)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)65-41-37(58)38(30(51)22(3)62-41)66-39-35(56)33(54)31(52)24(18-49)63-39/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 | NBWKXBHUWZKQKG-NOEMMCCMSA-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 | E18MEbuVELn |
|---|---|
| Name | QUINOVIC-ACID-3-BETA-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-FUCOPYRANOSYL]-(27->1)-BETA-D-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(42(59)60)16-17-48(43(61)67-40-36(57)34(55)32(53)25(19-50)64-40)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)65-41-37(58)38(30(51)22(3)62-41)66-39-35(56)33(54)31(52)24(18-49)63-39/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 | NBWKXBHUWZKQKG-NOEMMCCMSA-N |
| Literature Reference Author | R.CERRI,R.AQUINO,F.DESIMONE,C.PIZZA |
| Literature Reference Citation | J.NAT.PROD.,51,257(1988) |
| Literature Reference DOI | 10.1021/np50056a010 |
| Molecular Weight | 957.120 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBK394 |