| SpectraBase Compound ID | CJGSXvrTVGV |
|---|---|
| InChI | InChI=1S/C40H54O7/c1-27(16-12-18-29(3)32(43)22-35-38(6,7)25-33(44)36(45)40(35,9)47)14-10-11-15-28(2)17-13-19-30(26-41)20-21-34-37(4,5)23-31(42)24-39(34,8)46/h10-20,22,31,33,41-42,44,46-47H,23-26H2,1-9H3/b11-10+,16-12+,17-13+,27-14+,28-15+,29-18+,30-19-,35-22+/t21?,31-,33-,39+,40-/m0/s1 |
| InChIKey | CSIDHHVWXKPJDE-XUCNXLONSA-N |
| Mol Weight | 646.9 g/mol |
| Molecular Formula | C40H54O7 |
| Exact Mass | 646.386954 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6Q7mpLhoeVR |
|---|---|
| Name | 4-Keto-19'-hydroxyisofucoxanthinol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54O7 |
| InChI | InChI=1S/C40H54O7/c1-27(16-12-18-29(3)32(43)22-35-38(6,7)25-33(44)36(45)40(35,9)47)14-10-11-15-28(2)17-13-19-30(26-41)20-21-34-37(4,5)23-31(42)24-39(34,8)46/h10-20,22,31,33,41-42,44,46-47H,23-26H2,1-9H3/b11-10+,16-12+,17-13+,27-14+,28-15+,29-18+,30-19-,35-22+/t21?,31-,33-,39+,40-/m0/s1 |
| InChIKey | CSIDHHVWXKPJDE-XUCNXLONSA-N |
| Molecular Weight | 646.865 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\(C(=[C@@]=C2[C@@](C[C@](CC2(C)C)(O)[H])(O)C)[H])CO)C)C)C)=O)C(C1)(C)C)(O)C)=O)[H] |
| SPLASH | splash10-0ufr-0000089000-85870922d33a502f9f66 |
| Source of Spectrum | KC-0-1229-17 |
| Wiley ID | 830360 |