| SpectraBase Compound ID | 1Cv28bZpfug |
|---|---|
| InChI | InChI=1S/C42H60O4/c1-30(18-14-19-32(3)22-23-38-34(5)25-37(46-11)28-42(38,8)9)16-12-13-17-31(2)20-15-21-35(29-45-10)40(44)26-39-33(4)24-36(43)27-41(39,6)7/h12-23,25,36-38,43H,24,26-29H2,1-11H3/b13-12+,18-14+,20-15+,23-22+,30-16+,31-17+,32-19+,35-21+ |
| InChIKey | JCPAEPTTWZTLDT-ACIHZURYSA-N |
| Mol Weight | 628.9 g/mol |
| Molecular Formula | C42H60O4 |
| Exact Mass | 628.44916 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6ouSwfKzjSP |
|---|---|
| Name | .alpha.-Carotene, 7,8-dihydro-3-hydroxy-3',19-dimethoxy-8-oxo-, all-trans- |
| Alternate Name(s) | (3E,5E,7E,9E,11E,13E,15E,17E)-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-(methoxymethyl)-18-(4-methoxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-7,12,16-trimethyl-2-octadeca-3,5,7,9,11,13,15,17-octaenone (3E,5E,7E,9E,11E,13E,15E,17E)-1-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3-(methoxymethyl)-18-(4-methoxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-7,12,16-trimethyl-octadeca-3,5,7,9,11,13,15,17-octaen-2-one (3E,5E,7E,9E,11E,13E,15E,17E)-3-(methoxymethyl)-18-(4-methoxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-7,12,16-trimethyl-1-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-2-one |
| CAS Registry Number | 33474-09-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H60O4 |
| InChI | InChI=1S/C42H60O4/c1-30(18-14-19-32(3)22-23-38-34(5)25-37(46-11)28-42(38,8)9)16-12-13-17-31(2)20-15-21-35(29-45-10)40(44)26-39-33(4)24-36(43)27-41(39,6)7/h12-23,25,36-38,43H,24,26-29H2,1-11H3/b13-12+,18-14+,20-15+,23-22+,30-16+,31-17+,32-19+,35-21+ |
| InChIKey | JCPAEPTTWZTLDT-ACIHZURYSA-N |
| Molecular Weight | 628.938 g/mol |
| SMILES | OC1CC(=C(CC(\C(COC)=C\C=C\C(C)=C\C=C\C=C/(C)\C=C\C=C/(C)\C=C\C2C(C)=CC(CC2(C)C)OC)=O)C(C1)(C)C)C |
| SPLASH | splash10-0002-0002591000-79ee337ef02a44a5ba16 |
| Source of Spectrum | O-5-568-3 |
| Wiley ID | 1412025 |