| SpectraBase Compound ID | L914sMrxhXE |
|---|---|
| InChI | InChI=1S/C40H52O3/c1-27(14-16-35-31(5)37(41)18-21-39(35,7)8)12-11-13-28(2)24-33-20-23-43-30(4)26-34(33)25-29(3)15-17-36-32(6)38(42)19-22-40(36,9)10/h11-17,20,23-26,33-34H,18-19,21-22H2,1-10H3/b13-11+,16-14+,17-15+,27-12+,28-24+,29-25+ |
| InChIKey | SALAITJKDOEZKB-QMPVKDLZSA-N |
| Mol Weight | 580.9 g/mol |
| Molecular Formula | C40H52O3 |
| Exact Mass | 580.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L4DHQFNGkEa |
|---|---|
| Name | 11,15'-Dihydrooxepincanthaxanthin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H52O3 |
| InChI | InChI=1S/C40H52O3/c1-27(14-16-35-31(5)37(41)18-21-39(35,7)8)12-11-13-28(2)24-33-20-23-43-30(4)26-34(33)25-29(3)15-17-36-32(6)38(42)19-22-40(36,9)10/h11-17,20,23-26,33-34H,18-19,21-22H2,1-10H3/b13-11+,16-14+,17-15+,27-12+,28-24+,29-25+ |
| InChIKey | SALAITJKDOEZKB-QMPVKDLZSA-N |
| Molecular Weight | 580.853 g/mol |
| SMILES | C1(=C(C(CCC1(C)C)=O)C)\C=C\C(=C\C1C=C(OC=CC1\C=C\(\C=C\C=C\(\C=C\C1=C(C(=O)CCC1(C)C)C)C)C)C)C |
| SPLASH | splash10-0f89-0000690000-e8b4714cb0785ae57e00 |
| Source of Spectrum | AT-38-7855-1 |
| Wiley ID | 853991 |