![Methyl 14-[2'-hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate](/api/spectrum/1h1iYwACgSz/structure.png?h=300&w=458 "Methyl 14-[2'-hydroxy-3',4'-dimethyl-5'-(1\"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate")
| SpectraBase Compound ID | 4JnwHuw1Txg |
|---|---|
| InChI | InChI=1S/C31H46O8/c1-19(10-8-12-21(3)14-16-27(33)37-6)9-7-11-20(2)13-15-24-17-26(22(4)23(5)28(24)34)39-31-30(36)29(35)25(32)18-38-31/h9,12-13,17,25,29-32,34-36H,7-8,10-11,14-16,18H2,1-6H3/b19-9+,20-13+,21-12+/t25-,29+,30-,31+/m1/s1 |
| InChIKey | WEGCYFQCPQAOND-XYHCZGFYSA-N |
| Mol Weight | 546.7 g/mol |
| Molecular Formula | C31H46O8 |
| Exact Mass | 546.319268 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1h1iYwACgSz |
|---|---|
| Name | Methyl 14-[2'-hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O8 |
| InChI | InChI=1S/C31H46O8/c1-19(10-8-12-21(3)14-16-27(33)37-6)9-7-11-20(2)13-15-24-17-26(22(4)23(5)28(24)34)39-31-30(36)29(35)25(32)18-38-31/h9,12-13,17,25,29-32,34-36H,7-8,10-11,14-16,18H2,1-6H3/b19-9+,20-13+,21-12+/t25-,29+,30-,31+/m1/s1 |
| InChIKey | WEGCYFQCPQAOND-XYHCZGFYSA-N |
| Molecular Weight | 546.701 g/mol |
| SMILES | Oc1c(c(c(O[C@]2([C@@]([C@]([C@@](CO2)(O)[H])(O)[H])(O)[H])[H])cc1C\C=C\(CC\C=C\(CC\C=C\(CCC(=O)OC)C)C)C)C)C |
| SPLASH | splash10-0ik9-3800900000-2271450a48c1d2114dd2 |
| Source of Spectrum | U1-1998-53-6 |
| Synonyms | Methyl (4E,8E)-14-[2'-Hydroxy-3',4'-dimethyl-5'-(1''-.beta.,D-xylopyranosyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate (4E,8E,12E)-14-[2-hydroxy-3,4-dimethyl-5-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid methyl ester Methyl (4E,8E,12E)-14-[2-hydroxy-3,4-dimethyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoate Methyl (4E,8E,12E)-14-[2-hydroxy-3,4-dimethyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-phenyl]-4,8,12-trimethyl-tetradeca-4,8,12-trienoate Methyl (4E,8E,12E)-14-[3,4-dimethyl-2-oxidanyl-5-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-4,8,12-trimethyl-tetradeca-4,8,12-trienoate |
| Wiley ID | 1521865 |