| SpectraBase Compound ID | E1UxQY4fc56 |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-18-9-14-35(31(44)46-29-28(41)27(40)26(39)21(17-37)45-29)15-16-36(30(42)43)20(25(35)19(18)2)7-8-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,36)6/h7,18-19,21-29,37-41H,8-17H2,1-6H3,(H,42,43)/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1 |
| InChIKey | CLZXUPFAWZANJB-ZZZTYRQWSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C36H56O10 |
| Exact Mass | 648.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HR3cYsgMAIP |
|---|---|
| Name | 28-O-BETA-D-GLUCOPYRANOSYL-QUINOVIC-ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-18-9-14-35(31(44)46-29-28(41)27(40)26(39)21(17-37)45-29)15-16-36(30(42)43)20(25(35)19(18)2)7-8-23-33(5)12-11-24(38)32(3,4)22(33)10-13-34(23,36)6/h7,18-19,21-29,37-41H,8-17H2,1-6H3,(H,42,43)/t18-,19+,21-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1 |
| InChIKey | CLZXUPFAWZANJB-ZZZTYRQWSA-N |
| Literature Reference Author | L.HAMERSKI,C.A.CARBONEZI,A.J.CAVALHEIRO,V.D.S.BOLZANI,M.C.M. YOUNG |
| Literature Reference Citation | QUIM.NOVA,28,601(2005) |
| Literature Reference DOI | 10.1590/s0100-40422005000400009 |
| Molecular Weight | 648.835 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT12214 |