| SpectraBase Compound ID | Cs7QPPVxeQ3 |
|---|---|
| InChI | InChI=1S/C40H60O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,31-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | JRDOTPFGWVUYGC-QISQUURKSA-N |
| Mol Weight | 604.9 g/mol |
| Molecular Formula | C40H60O4 |
| Exact Mass | 604.44916 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3C42dMPRxL4 |
|---|---|
| Name | 5,6,5',6'-Tetrahydro-.beta.,.beta.-carotene-3,4,3',4'-tetraol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H60O4 |
| InChI | InChI=1S/C40H60O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,31-38,41-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | JRDOTPFGWVUYGC-QISQUURKSA-N |
| Molecular Weight | 604.916 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(C(CC2(C)C)O)O)C)C)C)C)C)C1C)(C)C)O |
| SPLASH | splash10-0zfr-0000149000-1c3eaf82dfaec80d91c1 |
| Source of Spectrum | G4-64-1142-3 |
| Synonyms | 5,5',6,6'-tetrahydro-beta,.beta.-carotene-3,3',4,4'-tetrol 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4,5-dihydroxy-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-4,5-bis(oxidanyl)cyclohexyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2-diol |
| Wiley ID | 1609174 |