| SpectraBase Compound ID | 4D42phoapl5 |
|---|---|
| InChI | InChI=1S/C46H62O7/c1-31(19-15-20-33(3)23-24-42-34(4)25-40(52-37(7)48)28-45(42,9)10)17-13-14-18-32(2)21-16-22-39(30-51-36(6)47)44(50)27-43-35(5)26-41(53-38(8)49)29-46(43,11)12/h13-25,40-42H,26-30H2,1-12H3/b14-13+,19-15+,21-16+,24-23+,31-17+,32-18+,33-20+,39-22+ |
| InChIKey | PLCAMGBYRVMLJX-OAVLNEJFSA-N |
| Mol Weight | 727.0 g/mol |
| Molecular Formula | C46H62O7 |
| Exact Mass | 726.449554 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 81QADkMHhRD |
|---|---|
| Name | .alpha.-Carotene, 7,8-dihydro-3,3',19-trihydroxy-8-oxo-, triacetate, all-trans- |
| Alternate Name(s) | Siphonaxanthin triacetate Acetic acid [(2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-acetyloxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-2-[2-(4-acetyloxy-2,6,6-trimethyl-1-cyclohexenyl)-1-oxoethyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaenyl] ester [(2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-acetyloxy-2,6,6-trimethylcyclohex-2-en-1-yl)-2-[2-(4-acetyloxy-2,6,6-trimethylcyclohexen-1-yl)acetyl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaenyl] acetate [(2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-acetoxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-2-[2-(4-acetoxy-2,6,6-trimethyl-cyclohexen-1-yl)acetyl]-6,11,15-trimethyl-heptadeca-2,4,6,8,10,12,14,16-octaenyl] acetate [(2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-acetyloxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-2-[2-(4-acetyloxy-2,6,6-trimethyl-cyclohexen-1-yl)ethanoyl]-6,11,15-trimethyl-heptadeca-2,4,6,8,10,12,14,16-octaenyl] ethanoate |
| CAS Registry Number | 33474-10-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C46H62O7 |
| InChI | InChI=1S/C46H62O7/c1-31(19-15-20-33(3)23-24-42-34(4)25-40(52-37(7)48)28-45(42,9)10)17-13-14-18-32(2)21-16-22-39(30-51-36(6)47)44(50)27-43-35(5)26-41(53-38(8)49)29-46(43,11)12/h13-25,40-42H,26-30H2,1-12H3/b14-13+,19-15+,21-16+,24-23+,31-17+,32-18+,33-20+,39-22+ |
| InChIKey | PLCAMGBYRVMLJX-OAVLNEJFSA-N |
| Molecular Weight | 726.995 g/mol |
| SMILES | CC(=O)OC\C(=C/C=C/C(C)=C/C=C/C=C\(C)\C=C\C=C/(C)\C=C\C1C(C)=CC(CC1(C)C)OC(C)=O)C(=O)CC1=C(C)CC(CC1(C)C)OC(C)=O |
| SPLASH | splash10-096r-0002895100-50a5a67bdf9dc8b5ad3c |
| Source of Spectrum | O5-0-565-0 |
| Wiley ID | 1415819 |