| SpectraBase Compound ID | KpsDqEWuacC |
|---|---|
| InChI | InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34-,39+,40-/m0/s1 |
| InChIKey | CNOIXMULOQWVGR-LLMCXBPVSA-N |
| Mol Weight | 598.9 g/mol |
| Molecular Formula | C40H54O4 |
| Exact Mass | 598.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9g8FCuj4Ltg |
|---|---|
| Name | Halocynthiaxanthin |
| CAS Registry Number | 81306-52-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54O4 |
| InChI | InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)24-37(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)27-40-38(8,9)25-34(42)26-39(40,10)44-40/h11-20,33-34,41-42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,34-,39+,40-/m0/s1 |
| InChIKey | CNOIXMULOQWVGR-LLMCXBPVSA-N |
| Molecular Weight | 598.868 g/mol |
| SMILES | O[C@@]1(C[C@@]2([C@](CC(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C#CC=3C(C[C@](CC3C)(O)[H])(C)C)C)C)C)C)=O)(C(C1)(C)C)O2)C)[H] |
| SPLASH | splash10-001i-0000190000-efcaab2e0e74cd6bc70f |
| Source of Spectrum | W5-1989-34924-30612 |
| Wiley ID | 1410016 |