![GLOMERATOSE-E;1-O-[6-O-[3-O-(E,E)-(BETA,BETA'-BIS-SINAPOYL)-BETA-D-FRUCTOFURANOSYL]]-ALPHA-D-GLUCOPYRANOSIDE-INTRAMOLECULAR-ESTER](/api/spectrum/14GRomI0Evd/structure.png?h=300&w=458 "GLOMERATOSE-E;1-O-[6-O-[3-O-(E,E)-(BETA,BETA'-BIS-SINAPOYL)-BETA-D-FRUCTOFURANOSYL]]-ALPHA-D-GLUCOPYRANOSIDE-INTRAMOLECULAR-ESTER")
| SpectraBase Compound ID | K0GSGd3fc7A |
|---|---|
| InChI | InChI=1S/C34H40O19/c1-45-18-7-14(8-19(46-2)24(18)37)5-16-17(6-15-9-20(47-3)25(38)21(10-15)48-4)32(44)51-30-27(40)22(11-35)52-34(30,13-36)53-33-29(42)28(41)26(39)23(50-33)12-49-31(16)43/h5-10,22-23,26-30,33,35-42H,11-13H2,1-4H3/b16-5-,17-6-/t22-,23-,26-,27-,28+,29-,30+,33-,34+/m0/s1 |
| InChIKey | FQIHRGVSSREZOH-PPQRQLLHSA-N |
| Mol Weight | 752.7 g/mol |
| Molecular Formula | C34H40O19 |
| Exact Mass | 752.216379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14GRomI0Evd |
|---|---|
| Name | GLOMERATOSE-E;1-O-[6-O-[3-O-(E,E)-(BETA,BETA'-BIS-SINAPOYL)-BETA-D-FRUCTOFURANOSYL]]-ALPHA-D-GLUCOPYRANOSIDE-INTRAMOLECULAR-ESTER |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H40O19 |
| InChI | InChI=1S/C34H40O19/c1-45-18-7-14(8-19(46-2)24(18)37)5-16-17(6-15-9-20(47-3)25(38)21(10-15)48-4)32(44)51-30-27(40)22(11-35)52-34(30,13-36)53-33-29(42)28(41)26(39)23(50-33)12-49-31(16)43/h5-10,22-23,26-30,33,35-42H,11-13H2,1-4H3/b16-5-,17-6-/t22-,23-,26-,27-,28+,29-,30+,33-,34+/m0/s1 |
| InChIKey | FQIHRGVSSREZOH-PPQRQLLHSA-N |
| Literature Reference Author | D.ZHANG,T.MIYASE,M.KUROYANAGI,K.UMEHARA,H.NOGUCHI |
| Literature Reference Citation | PHYTOCHEM.,47,45(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00490-1 |
| Molecular Weight | 752.680 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4818 |