| SpectraBase Compound ID | FUUr6MGsJyZ |
|---|---|
| InChI | InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,33-34,41,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+ |
| InChIKey | BNDHJHDWBOVXQE-XFULSKPLSA-N |
| Mol Weight | 598.9 g/mol |
| Molecular Formula | C40H54O4 |
| Exact Mass | 598.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8auf4luWORs |
|---|---|
| Name | .beta.,.beta.-Carotene-3,6'-diol, 7,8-didehydro-5',6',7',8'-tetrahydro-3',8'-dioxo-, (3'R,5R,6R)- |
| CAS Registry Number | 50906-60-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54O4 |
| InChI | InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,33-34,41,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+ |
| InChIKey | BNDHJHDWBOVXQE-XFULSKPLSA-N |
| Molecular Weight | 598.868 g/mol |
| SMILES | OC1CC(=C(C#C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(CC2(C(CC(CC2C)=O)(C)C)O)=O)C)C)C)C)C(C1)(C)C)C |
| SPLASH | splash10-0006-8900000000-2ff22f7b2781c952ac79 |
| Source of Spectrum | KC-1988-1392-1 |
| Synonyms | 3',6-dihydroxy-7',8'-didehydro-5,6,7,8-tetrahydro-beta,.beta.-carotene-3,8-dione Isolation of isomytiloxanthin Isomytiloxanthin 4-Hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15-heptaen-17-ynyl]-3,3,5-trimethyl-1-cyclohexanone 4-Hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15-heptaen-17-ynyl]-3,3,5-trimethylcyclohexan-1-one 4-Hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3,7,12,16-tetramethyl-2-oxo-octadeca-3,5,7,9,11,13,15-heptaen-17-ynyl]-3,3,5-trimethyl-cyclohexanone 3,3,5-trimethyl-4-oxidanyl-4-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-2-oxidanylidene-18-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-17-ynyl]cyclohexan-1-one |
| Wiley ID | 1410019 |