| SpectraBase Compound ID | 94THkaRzYhp |
|---|---|
| InChI | InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)45-40/h11-24,33-34,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ |
| InChIKey | IHFACKVTKFGBBA-DKLMTRRASA-N |
| Mol Weight | 618.9 g/mol |
| Molecular Formula | C40H58O5 |
| Exact Mass | 618.428425 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 | 2JH5b4QChyZ |
|---|---|
| Name | 5,6-Epoxy-5,6,5',6'-tetrahydro-.beta.,.beta.-carotene-3,5,6,3'-tetrol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H58O5 |
| InChI | InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)27-37(39,9)43)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)45-40/h11-24,33-34,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ |
| InChIKey | IHFACKVTKFGBBA-DKLMTRRASA-N |
| Molecular Weight | 618.899 g/mol |
| SMILES | OC1CC2(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C3(C(CC(CC3(C)C)O)(O)C)O)C)C)C)C)(C(C1)(C)C)O2)C |
| SPLASH | splash10-00r6-8980006000-fd0f17a6134b649d822d |
| Source of Spectrum | H-81-1240-14 |
| Synonyms | 1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-2,6,6-trimethyl-1,2,4-cyclohexanetriol 1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol 2,6,6-trimethyl-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexane-1,2,4-triol |
| Wiley ID | 1411463 |