![1-Cyclohexene-1-carboxylic acid, 3,4-dihydroxy-5-[[6-o-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-.beta.-D-glucopyranosyl]oxy]-, methyl ester, (3R,4R,5R)-, 5tms](/api/spectrum/GQKBiUGE0X2/structure.png?h=300&w=458 "1-Cyclohexene-1-carboxylic acid, 3,4-dihydroxy-5-[[6-o-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-.beta.-D-glucopyranosyl]oxy]-, methyl ester, (3R,4R,5R)-, 5tms")
| SpectraBase Compound ID | BA9qTqCYnLB |
|---|---|
| InChI | InChI=1S/C38H68O11Si5/c1-41-37(40)28-24-29(33(46-51(5,6)7)30(25-28)45-50(2,3)4)43-38-36(49-54(14,15)16)35(48-53(11,12)13)34(47-52(8,9)10)31(44-38)26-42-32(39)23-22-27-20-18-17-19-21-27/h17-23,25,29-31,33-36,38H,24,26H2,1-16H3/b23-22+/t29-,30-,31-,33+,34-,35+,36-,38-/m1/s1 |
| InChIKey | PHLHDXFZEYNHOJ-QSBQDROVSA-N |
| Mol Weight | 841.4 g/mol |
| Molecular Formula | C38H68O11Si5 |
| Exact Mass | 840.360796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQKBiUGE0X2 |
|---|---|
| Name | 1-Cyclohexene-1-carboxylic acid, 3,4-dihydroxy-5-[[6-o-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-.beta.-D-glucopyranosyl]oxy]-, methyl ester, (3R,4R,5R)-, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 840.360795674 u |
| Formula | C38H68O11Si5 |
| InChI | InChI=1S/C38H68O11Si5/c1-41-37(40)28-24-29(33(46-51(5,6)7)30(25-28)45-50(2,3)4)43-38-36(49-54(14,15)16)35(48-53(11,12)13)34(47-52(8,9)10)31(44-38)26-42-32(39)23-22-27-20-18-17-19-21-27/h17-23,25,29-31,33-36,38H,24,26H2,1-16H3/b23-22+/t29-,30-,31-,33+,34-,35+,36-,38-/m1/s1 |
| InChIKey | PHLHDXFZEYNHOJ-QSBQDROVSA-N |
| Molecular Weight | 841.376 g/mol |
| SMILES | C1(=C[C@]([C@]([C@@](C1)(O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(COC(\C=C\C1=CC=CC=C1)=O)[H])[H])[H])[H])[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])C(=O)OC |