| SpectraBase Compound ID | 4FXdDMiSHQv |
|---|---|
| InChI | InChI=1S/C47H68O7Si/c1-33(22-18-23-35(3)26-27-42-43(7,8)28-39(51-37(5)48)30-45(42,11)54-55(13,14)15)20-16-17-21-34(2)24-19-25-36(4)41(50)32-47-44(9,10)29-40(52-38(6)49)31-46(47,12)53-47/h16-26,39-40H,28-32H2,1-15H3/b17-16+,22-18+,24-19+,33-20+,34-21+,35-23+,36-25+/t27?,39?,40-,45?,46+,47-/m0/s1 |
| InChIKey | XOEUYEHNWZHIJE-OVNGMLKQSA-N |
| Mol Weight | 773.1 g/mol |
| Molecular Formula | C47H68O7Si |
| Exact Mass | 772.473431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GcSyFvXIAcQ |
|---|---|
| Name | Fucoxanthin - 3-acetate - 5'-(trimethylsilyl) ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 772.473431058 u |
| Formula | C47H68O7Si |
| InChI | InChI=1S/C47H68O7Si/c1-33(22-18-23-35(3)26-27-42-43(7,8)28-39(51-37(5)48)30-45(42,11)54-55(13,14)15)20-16-17-21-34(2)24-19-25-36(4)41(50)32-47-44(9,10)29-40(52-38(6)49)31-46(47,12)53-47/h16-26,39-40H,28-32H2,1-15H3/b17-16+,22-18+,24-19+,33-20+,34-21+,35-23+,36-25+/t27?,39?,40-,45?,46+,47-/m0/s1 |
| InChIKey | XOEUYEHNWZHIJE-OVNGMLKQSA-N |
| Molecular Weight | 773.139 g/mol |
| SMILES | [C@@]12([C@](C[C@@](OC(=O)C)(CC2(C)C)[H])(C)O1)CC(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C=C=C1C(CC(CC1(C)C)OC(=O)C)(O[Si](C)(C)C)C)C)C)C)C)=O |