SpectraBase Compound ID | 6YMThsyPk6l |
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InChI | InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-/m1/s1 |
InChIKey | YECXHLPYMXGEBI-NYTPWFNKSA-N |
Mol Weight | 582.9 g/mol |
Molecular Formula | C40H54O3 |
Exact Mass | 582.407296 g/mol |
SpectraBase Spectrum ID | CgCetqeOQI0 |
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Name | 4-Ketozeaxanthin |
CAS Registry Number | 39874-64-1 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C40H54O3 |
InChI | InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37,41-42H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,37-/m1/s1 |
InChIKey | YECXHLPYMXGEBI-NYTPWFNKSA-N |
Molecular Weight | 582.869 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\C=2C(C[C@@](CC2C)(O)[H])(C)C)C)C)C)C)C(C1)(C)C)C)=O)[H] |
SPLASH | splash10-0a4l-6920020000-8f186a4debacb72b236d |
Source of Spectrum | H-64-2480-0 |
Wiley ID | 1408714 |