![Quinovic-acid-3.beta.-O-[.beta.-D-glucopyranosyl-(1->3).beta.-D-fucopyranoside]](/api/spectrum/LRR4jCkBp4C/structure.png?h=300&w=458 "Quinovic-acid-3.beta.-O-[.beta.-D-glucopyranosyl-(1->3).beta.-D-fucopyranoside]")
| SpectraBase Compound ID | D7T8iD5iWC |
|---|---|
| InChI | InChI=1S/C42H66O14/c1-19-10-15-41(36(49)50)16-17-42(37(51)52)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-35-32(48)33(28(44)21(3)53-35)56-34-31(47)30(46)29(45)23(18-43)54-34/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,21-,23-,24?,25?,26+,27?,28+,29-,30+,31-,32-,33+,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | BZXXSUZFEIFGEX-HQLVSWQMSA-N |
| Mol Weight | 795.0 g/mol |
| Molecular Formula | C42H66O14 |
| Exact Mass | 794.445257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRR4jCkBp4C |
|---|---|
| Name | QUINOVIC-ACID-3-BETA-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-FUCOPYRANOSIDE] |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O14 |
| InChI | InChI=1S/C42H66O14/c1-19-10-15-41(36(49)50)16-17-42(37(51)52)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-35-32(48)33(28(44)21(3)53-35)56-34-31(47)30(46)29(45)23(18-43)54-34/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,21-,23-,24?,25?,26+,27?,28+,29-,30+,31-,32-,33+,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | BZXXSUZFEIFGEX-HQLVSWQMSA-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 | 794.978 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBK396 |