| SpectraBase Compound ID | AYiDlMY1skr |
|---|---|
| InChI | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-24-35-33(5)23-26-38(42)40(35,9)10)15-11-12-16-30(2)18-14-20-32(4)22-25-36-34(6)37(41)27-28-39(36,7)8/h11-20,22,25,37-38,41-42H,23,26-28H2,1-10H3/b12-11+,17-13+,18-14+,25-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-/m1/s1 |
| InChIKey | YKBPITOBUFJYFK-GISQFSEMSA-N |
| Mol Weight | 566.9 g/mol |
| Molecular Formula | C40H54O2 |
| Exact Mass | 566.412381 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1wIWrtlLj9L |
|---|---|
| Name | (all E)-(3R,3'R)-Diatoxanthin |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54O2 |
| InChI | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-24-35-33(5)23-26-38(42)40(35,9)10)15-11-12-16-30(2)18-14-20-32(4)22-25-36-34(6)37(41)27-28-39(36,7)8/h11-20,22,25,37-38,41-42H,23,26-28H2,1-10H3/b12-11+,17-13+,18-14+,25-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-/m1/s1 |
| InChIKey | YKBPITOBUFJYFK-GISQFSEMSA-N |
| Molecular Weight | 566.870 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#CC=2C([C@@](CCC2C)(O)[H])(C)C)C)C)C)C)C(CC1)(C)C)C)[H] |
| SPLASH | splash10-014i-1100090000-58a38f43328811a1c45f |
| Source of Spectrum | SB-48-902-2 |
| Synonyms | (2R,4'R)-7,8-didehydro-beta,.beta.-carotene-2,4'-diol |
| Wiley ID | 1407400 |