![3-O-[BETA-D-GLUCOPYRANOSYL]-QUINOVIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER](/api/spectrum/5JAOYNRYtS3/structure.png?h=300&w=458 "3-O-[BETA-D-GLUCOPYRANOSYL]-QUINOVIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | Hb9cZg4p8Cd |
|---|---|
| InChI | InChI=1S/C42H66O18S/c1-19-9-14-41(37(52)59-34-32(49)30(47)28(45)22(17-43)56-34)15-16-42(36(50)51)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)58-35-33(60-61(53,54)55)31(48)29(46)23(18-44)57-35/h7,19-20,22-35,43-49H,8-18H2,1-6H3,(H,50,51)(H,53,54,55)/t19-,20+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | MLWNJYSDBGCGAS-DTJUAWDLSA-N |
| Mol Weight | 891.0 g/mol |
| Molecular Formula | C42H66O18S |
| Exact Mass | 890.396986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JAOYNRYtS3 |
|---|---|
| Name | 3-O-[BETA-D-GLUCOPYRANOSYL]-QUINOVIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H66O18S |
| InChI | InChI=1S/C42H66O18S/c1-19-9-14-41(37(52)59-34-32(49)30(47)28(45)22(17-43)56-34)15-16-42(36(50)51)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)58-35-33(60-61(53,54)55)31(48)29(46)23(18-44)57-35/h7,19-20,22-35,43-49H,8-18H2,1-6H3,(H,50,51)(H,53,54,55)/t19-,20+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey | MLWNJYSDBGCGAS-DTJUAWDLSA-N |
| Literature Reference Author | K.POELLMANN,S.GAGEL,M.H.A.ELGAMAL,K.H.SHAKER,K.SEIFERT |
| Literature Reference Citation | PHYTOCHEM.,44,485(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00552-3 |
| Molecular Weight | 891.035 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA137 |