![Quinovic-acid-3.beta.-O-[.beta.-D-glucopyranosyl-(1->3).beta.-D-fucopyranoside]](/api/spectrum/Av8Ko7Wh3AI/structure.png?h=300&w=458 "Quinovic-acid-3.beta.-O-[.beta.-D-glucopyranosyl-(1->3).beta.-D-fucopyranoside]")
| SpectraBase Compound ID | WBjnrjMBgL |
|---|---|
| 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-NOTDTIKTSA-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 | Av8Ko7Wh3AI |
|---|---|
| Name | Quinovic-acid-3.beta.-O-[.beta.-D-glucopyranosyl-(1->3).beta.-D-fucopyranoside] |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-NOTDTIKTSA-N |
| Literature Reference | J. Nat. Products 51, 257 (1988). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3OD |