| SpectraBase Compound ID | 4nziEfS6SGX |
|---|---|
| InChI | InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-34-36(5,6)23-32(41)25-38(34,9)43)15-11-12-16-29(2)19-14-20-31(4)40(44)27-35-37(7,8)24-33(42)26-39(35,10)45-40/h11-21,27,32-33,41-44H,23-26H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22?,32-,33-,38+,39+,40?/m0/s1 |
| InChIKey | OGRGKZIIFYGGNG-HNLZHLSPSA-N |
| Mol Weight | 616.9 g/mol |
| Molecular Formula | C40H56O5 |
| Exact Mass | 616.412775 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H9jGsvAL5JQ |
|---|---|
| Name | Fucoxanthinol hemiketal |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O5 |
| InChI | InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-34-36(5,6)23-32(41)25-38(34,9)43)15-11-12-16-29(2)19-14-20-31(4)40(44)27-35-37(7,8)24-33(42)26-39(35,10)45-40/h11-21,27,32-33,41-44H,23-26H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22?,32-,33-,38+,39+,40?/m0/s1 |
| InChIKey | OGRGKZIIFYGGNG-HNLZHLSPSA-N |
| Molecular Weight | 616.883 g/mol |
| SMILES | O[C@@]1(C[C@](C(=[C@]=C(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C2(O[C@]3(C(=C2)C(C)(C)C[C@@](C3)(O)[H])C)O)C)C)C)C)[H])C(C1)(C)C)(O)C)[H] |
| SPLASH | splash10-006t-0950041000-b404c02d09b09c79d5c4 |
| Source of Spectrum | SB-48-73-3 |
| Wiley ID | 1411236 |