![Quinovic-acid-3.beta.-O-[.beta.-D-glucopyranosyl-(1->3).beta.-D-fucopyranosyl]-(27->1).beta.-D-glucopyranosyl-ester](/api/spectrum/9c1Gwv1zjFL/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 | rt8LjPmAU7 |
|---|---|
| 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+/m0/s1 |
| InChIKey | NBWKXBHUWZKQKG-GCSUYDFOSA-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 | 9c1Gwv1zjFL |
|---|---|
| Name | Quinovic-acid-3.beta.-O-[.beta.-D-glucopyranosyl-(1->3).beta.-D-fucopyranosyl]-(27->1).beta.-D-glucopyranosyl-ester |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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+/m0/s1 |
| InChIKey | NBWKXBHUWZKQKG-GCSUYDFOSA-N |
| Literature Reference | J. Nat. Products 51, 257 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3OD |