| SpectraBase Compound ID | KM6mtgw8Hhe |
|---|---|
| InChI | InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 |
| InChIKey | OGHZCSINIMWCSB-GHIQLMQGSA-N |
| Mol Weight | 582.9 g/mol |
| Molecular Formula | C40H54O3 |
| Exact Mass | 582.407296 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HU2wSY4c6Mx |
|---|---|
| Name | Diadinoxanthin A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54O3 |
| InChI | InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 |
| InChIKey | OGHZCSINIMWCSB-GHIQLMQGSA-N |
| Molecular Weight | 582.869 g/mol |
| SMILES | O[C@@]1(C[C@@]2([C@](\C=C\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)(C(C1)(C)C)O2)C)[H] |
| SPLASH | splash10-001i-0000090000-3f581ca1b81e1e2103f4 |
| Source of Spectrum | G4-63-963-0 |
| Synonyms | (1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-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]-7-oxabicyclo[4.1.0]heptan-3-ol (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-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]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol |
| Wiley ID | 1608522 |