| SpectraBase Compound ID | 8y5B2aO5IUs |
|---|---|
| InChI | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20-/t35-,36-/m1/s1 |
| InChIKey | HNYJHQMUSVNWPV-MKTNVILISA-N |
| Mol Weight | 566.9 g/mol |
| Molecular Formula | C40H54O2 |
| Exact Mass | 566.412381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AoqNuE5CRS7 |
|---|---|
| Name | 9Z-(3R,3'R)-Diatoxanthin |
| Alternate Name(s) | (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enol (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15Z)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15Z)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54O2 |
| InChI | InChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20-/t35-,36-/m1/s1 |
| InChIKey | HNYJHQMUSVNWPV-MKTNVILISA-N |
| Molecular Weight | 566.870 g/mol |
| SMILES | O[C@@]1(CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C/(C#CC=2C(C[C@@](CC2C)(O)[H])(C)C)C)C)C)C)C(C1)(C)C)C)[H] |
| SPLASH | splash10-014i-0000090000-0730b014b7932134b631 |
| Source of Spectrum | QC-5-1790-1 |
| Wiley ID | 883730 |