| SpectraBase Compound ID | 8v81sQQctWt |
|---|---|
| InChI | InChI=1S/C40H48O4/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/h11-20,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | NNUVZGQKBVLNIO-BXOKDNRRSA-N |
| Mol Weight | 592.8 g/mol |
| Molecular Formula | C40H48O4 |
| Exact Mass | 592.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IIDa5px0Xhg |
|---|---|
| Name | .beta.,.beta.-Carotene-4,4'-dione, 7,7',8,8'-tetradehydro-3,3'-dihydroxy- |
| CAS Registry Number | 31687-79-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H48O4 |
| InChI | InChI=1S/C40H48O4/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/h11-20,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,27-15+,28-16+,29-19+,30-20+ |
| InChIKey | NNUVZGQKBVLNIO-BXOKDNRRSA-N |
| Molecular Weight | 592.820 g/mol |
| SMILES | OC1C(C(=C(C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C#CC=2C(CC(C(C2C)=O)O)(C)C)C)C)C)C)C(C1)(C)C)C)=O |
| SPLASH | splash10-0006-0000090000-6cf9191b537833c01d88 |
| Source of Spectrum | S-24-3051-2 |
| Synonyms | .beta.-carotene-4,4'-dione, 7,7',8,8'-tetradehydro-3,3'-dihydroxy-, all-trans- 3,3'-dihydroxy-7,7',8,8'-tetradehydro-beta,.beta.-carotene-4,4'-dione 7,8,7',8'-Tetrahydroastaxanthin 6-Hydroxy-3-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-2,4,4-trimethyl-1-cyclohex-2-enone 6-Hydroxy-3-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-2,4,4-trimethylcyclohex-2-en-1-one 6-Hydroxy-3-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)-3,7,12,16-tetramethyl-octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]-2,4,4-trimethyl-cyclohex-2-en-1-one 2,4,4-trimethyl-6-oxidanyl-3-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-3-oxidanylidene-cyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-2-en-1-one |
| Wiley ID | 1409549 |