| SpectraBase Compound ID | IQ5M7yz9Nsa |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-6-10-22(26)16-19(3)15-18(2)11-9-13-23-17-21(5)24(29-23)14-8-7-12-20(4)25(27)28/h18,20-24,26H,3,6-8,10,12-17H2,1-2,4-5H3,(H,27,28)/t18-,20-,21-,22+,23-,24-/m0/s1 |
| InChIKey | PHPCVRAWHMJCKT-CLJXQSCZSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KXxW2ElGArI |
|---|---|
| Name | (S)-6-((2S,3S,5R)-5-((4R,8R)-8-hydroxy-4-methyl-6-methyleneundec-2-yn-1-yl)-3-methyltetrahydrofuran-2-yl)-2-methylhexanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-6-10-22(26)16-19(3)15-18(2)11-9-13-23-17-21(5)24(29-23)14-8-7-12-20(4)25(27)28/h18,20-24,26H,3,6-8,10,12-17H2,1-2,4-5H3,(H,27,28)/t18-,20-,21-,22+,23-,24-/m0/s1 |
| InChIKey | PHPCVRAWHMJCKT-CLJXQSCZSA-N |
| Literature Reference DOI | 10.1002/anie.201305467 |
| Molecular Weight | 406.607 g/mol |
| SMILES | O[C@@](CC(C[C@](C#CC[C@@]1(O[C@@](CCCC[C@@](C(O)=O)(C)[H])([C@](C1)(C)[H])[H])[H])(C)[H])=C)(CCC)[H] |
| SPLASH | splash10-0002-1940000000-4bcc0c126600f4d16665 |
| Source of Spectrum | ACI-52-SM18-30 |
| Wiley ID | 1781850 |