![14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-L-xylopyranyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid](/api/spectrum/2hXxbsLf8K/structure.png?h=300&w=458 "14-[2'-Hydroxy-3',4'-dimethyl-5'-(1\"-.beta.-L-xylopyranyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid")
| SpectraBase Compound ID | 4CnrFyBrNmd |
|---|---|
| InChI | InChI=1S/C30H44O8/c1-18(9-7-11-20(3)13-15-26(32)33)8-6-10-19(2)12-14-23-16-25(21(4)22(5)27(23)34)38-30-29(36)28(35)24(31)17-37-30/h8,11-12,16,24,28-31,34-36H,6-7,9-10,13-15,17H2,1-5H3,(H,32,33)/b18-8+,19-12+,20-11+/t24-,28+,29-,30-/m1/s1 |
| InChIKey | BHNJFIZZQGJJRA-XQZSHBFSSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C30H44O8 |
| Exact Mass | 532.303618 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2hXxbsLf8K |
|---|---|
| Name | 14-[2'-Hydroxy-3',4'-dimethyl-5'-(1"-.beta.-L-xylopyranyloxy)phenyl]-4,8,12-trimethyltetradeca-4,8,12-trienoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44O8 |
| InChI | InChI=1S/C30H44O8/c1-18(9-7-11-20(3)13-15-26(32)33)8-6-10-19(2)12-14-23-16-25(21(4)22(5)27(23)34)38-30-29(36)28(35)24(31)17-37-30/h8,11-12,16,24,28-31,34-36H,6-7,9-10,13-15,17H2,1-5H3,(H,32,33)/b18-8+,19-12+,20-11+/t24-,28+,29-,30-/m1/s1 |
| InChIKey | BHNJFIZZQGJJRA-XQZSHBFSSA-N |
| Molecular Weight | 532.674 g/mol |
| SMILES | OC(CC\C(=C\CC\C(=C\CC\C(=C\Cc1c(c(c(c(O[C@@]2([C@@]([C@]([C@@](CO2)(O)[H])(O)[H])(O)[H])[H])c1)C)C)O)C)C)C)=O |
| SPLASH | splash10-0udr-1900300000-a270c5637cb079af2a36 |
| Source of Spectrum | U-1997-1083-1 |
| Wiley ID | 769725 |