| SpectraBase Compound ID | L4p8L0Vrefg |
|---|---|
| InChI | InChI=1S/C40H50O4/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/h11-25,36,41-42H,26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | RXXKAJLYZUKPQH-QISQUURKSA-N |
| Mol Weight | 594.8 g/mol |
| Molecular Formula | C40H50O4 |
| Exact Mass | 594.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DHgHsm9ClAO |
|---|---|
| Name | .beta.,.beta.-Carotene-4,4'-dione, 2,3-didehydro-3,3'-dihydroxy-, (.+-.)- |
| CAS Registry Number | 80713-38-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H50O4 |
| InChI | InChI=1S/C40H50O4/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/h11-25,36,41-42H,26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | RXXKAJLYZUKPQH-QISQUURKSA-N |
| Molecular Weight | 594.836 g/mol |
| SMILES | OC=1C(C(=C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=2C(CC(C(C2C)=O)O)(C)C)C)C)C)C)C(C1)(C)C)C)=O |
| SPLASH | splash10-0udl-2970020000-c08f6f8f4424958f6aee |
| Source of Spectrum | H-64-2482-0 |
| Synonyms | 3,3'-dihydroxy-2,3-didehydro-beta,.beta.-carotene-4,4'-dione rac-3,3'-dihydroxy-2,3-didehydro-.beta.,.beta.-carotin-4,4'-dione 6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohexa-2,5-dienone 6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohexa-2,5-dien-1-one 6-Hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohexa-2,5-dien-1-one 2,4,4-trimethyl-6-oxidanyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexa-2,5-dien-1-one |
| Wiley ID | 1409699 |