| SpectraBase Compound ID | 7n2nAFl4uK9 |
|---|---|
| InChI | InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-36(5,6)23-32(41)25-38(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)27-40-37(7,8)24-33(42)26-39(40,10)45-40/h11-21,32-33,41-42,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+ |
| InChIKey | NZEPSBGUXWWWSI-XFULSKPLSA-N |
| Mol Weight | 616.9 g/mol |
| Molecular Formula | C40H56O5 |
| Exact Mass | 616.412775 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1uiqrVdRAG |
|---|---|
| Name | .beta.,.beta.-Carotene, 6',7'-didehydro-5,6-epoxy-5,5',6,6',7,8-hexahydro-3,3',5'-trihydroxy-8-oxo- |
| Alternate Name(s) | (3E,5E,7E,9E,11E,13E,15E)-18-(2,4-Dihydroxy-2,6,6-trimethylcyclohexylidene)-1-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3,7,12,16-tetramethyl-3,5,7,9,11,13,15,17-octadecaoctaen-2-one (3E,5E,7E,9E,11E,13E,15E)-18-(2,4-dihydroxy-2,6,6-trimethyl-cyclohexylidene)-1-(3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one (3E,5E,7E,9E,11E,13E,15E)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-1-(3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3,7,12,16-tetramethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone (3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[2,2,6-trimethyl-4,6-bis(oxidanyl)cyclohexylidene]-1-(1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl)octadeca-3,5,7,9,11,13,15,17-octaen-2-one .alpha.-Carotene, 6',7'-didehydro-5,6-epoxy-4',5,5',6,7,8-hexahydro-3,3',5'-trihydroxy-8-oxo- Fucoxanthinol Fucoxanthinol, (all-trans)- |
| CAS Registry Number | 7176-02-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H56O5 |
| InChI | InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-36(5,6)23-32(41)25-38(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)27-40-37(7,8)24-33(42)26-39(40,10)45-40/h11-21,32-33,41-42,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+ |
| InChIKey | NZEPSBGUXWWWSI-XFULSKPLSA-N |
| Molecular Weight | 616.883 g/mol |
| SMILES | OC1CC2(OC2(CC(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C=C=C2C(CC(CC2(C)O)O)(C)C)C)C)C)C)=O)C(C1)(C)C)C |
| SPLASH | splash10-006t-0660094000-d42b6f073fb606d73679 |
| Source of Spectrum | SB-46-623-1 |
| Wiley ID | 1411348 |