| SpectraBase Compound ID | H2IzgqlHN8o |
|---|---|
| InChI | InChI=1S/C40H54O/c1-30(19-13-21-32(3)25-26-36-34(5)23-15-27-39(36,7)8)17-11-12-18-31(2)20-14-22-33(4)29-37(41)38-35(6)24-16-28-40(38,9)10/h11-14,16-26,29,37,41H,15,27-28H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,30-19+,31-20+,32-25+,33-29+,36-26+ |
| InChIKey | TYUIZJREBJLYCP-JNAKTKTGSA-N |
| Mol Weight | 550.9 g/mol |
| Molecular Formula | C40H54O |
| Exact Mass | 550.417466 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BwFEvhTVyDt |
|---|---|
| Name | 3,4-Didehydro-4',7-(retro)-.beta.,.beta.-caroten-7-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54O |
| InChI | InChI=1S/C40H54O/c1-30(19-13-21-32(3)25-26-36-34(5)23-15-27-39(36,7)8)17-11-12-18-31(2)20-14-22-33(4)29-37(41)38-35(6)24-16-28-40(38,9)10/h11-14,16-26,29,37,41H,15,27-28H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,30-19+,31-20+,32-25+,33-29+,36-26+ |
| InChIKey | TYUIZJREBJLYCP-JNAKTKTGSA-N |
| Molecular Weight | 550.871 g/mol |
| SMILES | OC(C1=C(C=CCC1(C)C)C)\C=C\(\C=C\C=C\(\C=C\C=C\C(=C\C=C\C(=C\C=C/1C(=CCCC1(C)C)C)C)C)C)C |
| SPLASH | splash10-0006-9000010000-803a8275d94731bd711c |
| Source of Spectrum | F5-2-2503-20 |
| Synonyms | (2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-ylidene)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-2,4,6,8,10,12,14,16-octaen-1-ol (2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-1-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)-18-(2,6,6-trimethyl-1-cyclohex-2-enylidene)-1-octadeca-2,4,6,8,10,12,14,16-octaenol |
| Wiley ID | 1732040 |