| SpectraBase Compound ID | D2pYk6YTpcY |
|---|---|
| InChI | InChI=1S/C40H52O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,28,41H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+ |
| InChIKey | RGAZJYSRPZSBTF-GVVOHZSFSA-N |
| Mol Weight | 564.9 g/mol |
| Molecular Formula | C40H52O2 |
| Exact Mass | 564.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 77oRqCmcMo1 |
|---|---|
| Name | .beta.,.beta.-Caroten-4-one, 2,3-didehydro-3-hydroxy- |
| CAS Registry Number | 6399-46-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H52O2 |
| InChI | InChI=1S/C40H52O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,28,41H,15,22,27H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+ |
| InChIKey | RGAZJYSRPZSBTF-GVVOHZSFSA-N |
| Molecular Weight | 564.854 g/mol |
| SMILES | OC1=CC(C(=C(C1=O)C)\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)C)C)C)(C)C |
| SPLASH | splash10-0ldl-9750040000-8de65299330b63712e9c |
| Source of Spectrum | H-64-2480-0 |
| Synonyms | 3-Hydroxy-2,3-didehydro-.beta.,.beta.-carotin-4-one 3-Hydroxy-2,3-didehydro-beta,.beta.-caroten-4-one 6-Hydroxy-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-cyclohexa-2,5-dienone 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-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexa-2,5-dien-1-one |
| Wiley ID | 1407208 |