| SpectraBase Compound ID | HYHax2gioq |
|---|---|
| InChI | InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ |
| InChIKey | QXNWZXMBUKUYMD-QQGJMDNJSA-N |
| Mol Weight | 550.9 g/mol |
| Molecular Formula | C40H54O |
| Exact Mass | 550.417466 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E9vmJ63fEOK |
|---|---|
| Name | .beta.,.beta.-Caroten-4-one |
| CAS Registry Number | 432-68-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H54O |
| InChI | InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ |
| InChIKey | QXNWZXMBUKUYMD-QQGJMDNJSA-N |
| Molecular Weight | 550.871 g/mol |
| SMILES | C=1(C(CCC(C1C)=O)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=1C(CCCC1C)(C)C)C)C)C)C |
| SPLASH | splash10-0udi-0000090000-d6a274e7d6d2dc1efcfb |
| Source of Spectrum | H-62-2556-0 |
| Synonyms | .beta.-Caroten-4-one, all-trans- 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-2-enone 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-, (all-E)- all-trans-Echinenone Echinenon Echinenone Echinenone, all-trans- Myxoxanthine EINECS 207-083-4 |
| Wiley ID | 1405802 |