![GLOMERATOSE-C;3-O-[(E)-3,4,5-TRIMETHOXYCINNAMOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[6-O-(E)-PARA-COUMAROYL]-ALPHA-D-GLUCOPYRANOSIDE](/api/spectrum/1KEZolU4fNt/structure.png?h=300&w=458 "GLOMERATOSE-C;3-O-[(E)-3,4,5-TRIMETHOXYCINNAMOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[6-O-(E)-PARA-COUMAROYL]-ALPHA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | 7AUmsIc6byU |
|---|---|
| InChI | InChI=1S/C33H40O17/c1-43-20-12-18(13-21(44-2)30(20)45-3)7-11-25(38)48-31-27(40)22(14-34)49-33(31,16-35)50-32-29(42)28(41)26(39)23(47-32)15-46-24(37)10-6-17-4-8-19(36)9-5-17/h4-13,22-23,26-29,31-32,34-36,39-42H,14-16H2,1-3H3/b10-6+,11-7+/t22-,23+,26+,27-,28-,29+,31+,32+,33+/m1/s1 |
| InChIKey | UJPKRVBOYSBABW-COKIYXOLSA-N |
| Mol Weight | 708.7 g/mol |
| Molecular Formula | C33H40O17 |
| Exact Mass | 708.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KEZolU4fNt |
|---|---|
| Name | GLOMERATOSE-C;3-O-[(E)-3,4,5-TRIMETHOXYCINNAMOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[6-O-(E)-PARA-COUMAROYL]-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H40O17 |
| InChI | InChI=1S/C33H40O17/c1-43-20-12-18(13-21(44-2)30(20)45-3)7-11-25(38)48-31-27(40)22(14-34)49-33(31,16-35)50-32-29(42)28(41)26(39)23(47-32)15-46-24(37)10-6-17-4-8-19(36)9-5-17/h4-13,22-23,26-29,31-32,34-36,39-42H,14-16H2,1-3H3/b10-6+,11-7+/t22-,23+,26+,27-,28-,29+,31+,32+,33+/m1/s1 |
| InChIKey | UJPKRVBOYSBABW-COKIYXOLSA-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 | 708.670 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4815 |