![14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-glucopyranyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid](/api/spectrum/3QKIIe0b3b6/structure.png?h=300&w=458 "14-[2'-Hydroxy-3',4'-dimethyl-5'-(1\"-.beta.-D-glucopyranyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid")
| SpectraBase Compound ID | 9zssq3snXpC |
|---|---|
| InChI | InChI=1S/C31H46O9/c1-18(9-7-11-20(3)13-15-26(33)34)8-6-10-19(2)12-14-23-16-24(21(4)22(5)27(23)35)39-31-30(38)29(37)28(36)25(17-32)40-31/h8,11-12,16,25,28-32,35-38H,6-7,9-10,13-15,17H2,1-5H3,(H,33,34)/b18-8+,19-12+,20-11+/t25-,28-,29+,30-,31-/m1/s1 |
| InChIKey | IIBLVBKRLINKDI-YRSPWXIWSA-N |
| Mol Weight | 562.7 g/mol |
| Molecular Formula | C31H46O9 |
| Exact Mass | 562.314183 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3QKIIe0b3b6 |
|---|---|
| Name | 14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-D-glucopyranyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O9 |
| InChI | InChI=1S/C31H46O9/c1-18(9-7-11-20(3)13-15-26(33)34)8-6-10-19(2)12-14-23-16-24(21(4)22(5)27(23)35)39-31-30(38)29(37)28(36)25(17-32)40-31/h8,11-12,16,25,28-32,35-38H,6-7,9-10,13-15,17H2,1-5H3,(H,33,34)/b18-8+,19-12+,20-11+/t25-,28-,29+,30-,31-/m1/s1 |
| InChIKey | IIBLVBKRLINKDI-YRSPWXIWSA-N |
| Molecular Weight | 562.700 g/mol |
| SMILES | O[C@@]1([C@](O[C@]([C@@]([C@]1(O)[H])(O)[H])(Oc1c(c(C)c(c(c1)C\C=C\(CC\C=C\(CC\C=C\(CCC(=O)O)C)C)C)O)C)[H])(CO)[H])[H] |
| SPLASH | splash10-0udr-1900140000-74cd1d156eef537b80e4 |
| Source of Spectrum | U-1997-1084-1 |
| Wiley ID | 769724 |