| SpectraBase Compound ID | 5E5nhl0UQKj |
|---|---|
| InChI | InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35?,40+,41+,42-/m0/s1 |
| InChIKey | SJWWTRQNNRNTPU-SFIMFICRSA-N |
| Mol Weight | 658.9 g/mol |
| Molecular Formula | C42H58O6 |
| Exact Mass | 658.42334 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KWXdrwE0F3G |
|---|---|
| Name | .beta.,.beta.-Carotene, 3'-(acetyloxy)-6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,5'-dihydroxy-8-oxo-, (3S,3'S,5R,5'R,6S,6'R)- |
| CAS Registry Number | 3351-86-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H58O6 |
| InChI | InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35?,40+,41+,42-/m0/s1 |
| InChIKey | SJWWTRQNNRNTPU-SFIMFICRSA-N |
| Molecular Weight | 658.920 g/mol |
| SMILES | O[C@@]1(C[C@@]2([C@](CC(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C=C=C3[C@@](CC(CC3(C)C)OC(=O)C)(O)C)C)C)C)C)=O)(C(C1)(C)C)O2)C)[H] |
| SPLASH | splash10-05mo-4941000000-79dfa7670793dcb6a926 |
| Source of Spectrum | KC-69-432-0 |
| Synonyms | 3-Hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3,7,12,16-tetramethyl-17-oxo-1,3,5,7,9,11,13,15-octadecaoctaenylidene]-3,5,5-trimethylcyclohexyl acet .alpha.-Carotene, 6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo-, 3'-acetate, all-trans- Fucoxanthin Fucoxanthin, all-trans- Acetic acid [(3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethylcyclohexyl] ester [(3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-17-oxooctadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethylcyclohexyl] acetate [(3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-17-oxo-octadeca-1,3,5,7,9,11,13,15-octaenylidene]-3,5,5-trimethyl-cyclohexyl] acetate [(5R)-3,3,5-trimethyl-5-oxidanyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-17-oxidanylidene-18-[(1R,3S,6S)-1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl]octadeca-1,3,5,7,9,11,13,15-octaenylidene]cyclohexyl] ethanoate BRN 0073179 CCRIS 4055 |
| Wiley ID | 1413493 |