| SpectraBase Compound ID | AQrDMBiq2Um |
|---|---|
| InChI | InChI=1S/C40H60O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,32-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+ |
| InChIKey | UKZNVYFIFVPGRZ-ROKXECAJSA-N |
| Mol Weight | 588.9 g/mol |
| Molecular Formula | C40H60O3 |
| Exact Mass | 588.454246 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ENr6BcuyrzO |
|---|---|
| Name | 5,6,5',6'-Tetrahydro-.beta.,.beta.-carotene-3,4,4'-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H60O3 |
| InChI | InChI=1S/C40H60O3/c1-28(17-13-19-30(3)21-23-34-32(5)36(41)25-26-39(34,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-35-33(6)38(43)37(42)27-40(35,9)10/h11-24,32-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+ |
| InChIKey | UKZNVYFIFVPGRZ-ROKXECAJSA-N |
| Molecular Weight | 588.917 g/mol |
| SMILES | OC1C(CC(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C2C(C(CCC2(C)C)O)C)C)C)C)C)C1C)(C)C)O |
| SPLASH | splash10-000i-0000190000-deee440524d5faf06ee5 |
| Source of Spectrum | G4-64-1142-2 |
| Synonyms | 5,5',6,6'-tetrahydro-beta,.beta.-carotene-3,4,4'-triol 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(5-hydroxy-2,2,6-trimethylcyclohexyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohexane-1,2-diol 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,2,6-trimethyl-5-oxidanyl-cyclohexyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2-diol |
| Wiley ID | 1609175 |