| SpectraBase Compound ID | 8wvj1IiGDqQ |
|---|---|
| InChI | InChI=1S/C45H64O6/c1-32(20-16-22-34(3)24-25-39-41(6,7)28-38(50-36(5)46)30-43(39,10)49-13)18-14-15-19-33(2)21-17-23-35(4)26-45(47)31-40-42(8,9)27-37(48-12)29-44(40,11)51-45/h14-24,31,37-38,47H,26-30H2,1-13H3/b15-14+,20-16+,21-17+,32-18+,33-19+,34-22+,35-23+/t25?,37-,38-,43+,44-,45?/m0/s1 |
| InChIKey | BZLATHLSWUMYLV-VDROCSSJSA-N |
| Mol Weight | 701.0 g/mol |
| Molecular Formula | C45H64O6 |
| Exact Mass | 700.47029 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BuDqryAFcr |
|---|---|
| Name | Fucoxanthin methylketal 3,5'-dimethyl ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H64O6 |
| InChI | InChI=1S/C45H64O6/c1-32(20-16-22-34(3)24-25-39-41(6,7)28-38(50-36(5)46)30-43(39,10)49-13)18-14-15-19-33(2)21-17-23-35(4)26-45(47)31-40-42(8,9)27-37(48-12)29-44(40,11)51-45/h14-24,31,37-38,47H,26-30H2,1-13H3/b15-14+,20-16+,21-17+,32-18+,33-19+,34-22+,35-23+/t25?,37-,38-,43+,44-,45?/m0/s1 |
| InChIKey | BZLATHLSWUMYLV-VDROCSSJSA-N |
| Molecular Weight | 701.001 g/mol |
| SMILES | OC1(O[C@@]2(C(C(C)(C)C[C@@](C2)(OC)[H])=C1)C)C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C=C=C1[C@@](C[C@@](OC(=O)C)(CC1(C)C)[H])(OC)C)C)C)C)C |
| SPLASH | splash10-07cm-0950000000-b18f28b7b995b8cb784b |
| Source of Spectrum | SB-46-621-2 |
| Wiley ID | 1415057 |