![#21;METHYL-2-((1E)-3-[(2R,3R,5S,6S)-3-((1S,5R)-5-HYDROXY)-1-(METHYLOXYMETHYL)-OXYHEXYL-5,6-BIS-(4-METHYLOXYPHENYL)-[1,4]-DIOXAN-2-YL]-1-PROPENYL)-BENZOA](/api/spectrum/6GA2SaQ2lZu/structure.png?h=300&w=458 "#21;METHYL-2-((1E)-3-[(2R,3R,5S,6S)-3-((1S,5R)-5-HYDROXY)-1-(METHYLOXYMETHYL)-OXYHEXYL-5,6-BIS-(4-METHYLOXYPHENYL)-[1,4]-DIOXAN-2-YL]-1-PROPENYL)-BENZOA")
| SpectraBase Compound ID | Eu7XQ0bAc18 |
|---|---|
| InChI | InChI=1S/C37H46O9/c1-25(38)10-8-14-32(44-24-40-2)36-33(15-9-12-26-11-6-7-13-31(26)37(39)43-5)45-34(27-16-20-29(41-3)21-17-27)35(46-36)28-18-22-30(42-4)23-19-28/h6-7,9,11-13,16-23,25,32-36,38H,8,10,14-15,24H2,1-5H3/b12-9+/t25-,32+,33-,34+,35+,36+/m1/s1 |
| InChIKey | DHAVGYDAHQHHEM-GKJSLXQGSA-N |
| Mol Weight | 634.8 g/mol |
| Molecular Formula | C37H46O9 |
| Exact Mass | 634.314183 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6GA2SaQ2lZu |
|---|---|
| Name | #21;METHYL-2-((1E)-3-[(2R,3R,5S,6S)-3-((1S,5R)-5-HYDROXY)-1-(METHYLOXYMETHYL)-OXYHEXYL-5,6-BIS-(4-METHYLOXYPHENYL)-[1,4]-DIOXAN-2-YL]-1-PROPENYL)-BENZOA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46O9 |
| InChI | InChI=1S/C37H46O9/c1-25(38)10-8-14-32(44-24-40-2)36-33(15-9-12-26-11-6-7-13-31(26)37(39)43-5)45-34(27-16-20-29(41-3)21-17-27)35(46-36)28-18-22-30(42-4)23-19-28/h6-7,9,11-13,16-23,25,32-36,38H,8,10,14-15,24H2,1-5H3/b12-9+/t25-,32+,33-,34+,35+,36+/m1/s1 |
| InChIKey | DHAVGYDAHQHHEM-GKJSLXQGSA-N |
| Literature Reference Author | A.S.KHARTULYARI,M.KAPUR,M.E.MAIER |
| Literature Reference Citation | ORG.LETTERS,8,5833(2006) |
| Literature Reference DOI | 10.1021/ol062479r |
| Molecular Weight | 634.767 g/mol |
| Sample ID | 39815 |
| Solvent | CDCl3 |