| SpectraBase Compound ID | 7mPpmodrE0l |
|---|---|
| InChI | InChI=1S/C42H58O2/c1-32(2)18-14-21-35(5)24-16-26-36(6)25-15-22-33(3)19-12-13-20-34(4)23-17-27-37(7)28-29-41-38(8)30-40(44-39(9)43)31-42(41,10)11/h12-13,15-20,22-29,40H,14,21,30-31H2,1-11H3/b13-12+,22-15+,23-17+,26-16+,29-28+,33-19+,34-20+,35-24+,36-25+,37-27+ |
| InChIKey | IAKKYYRCCXWDRU-RQQDXWAQSA-N |
| Mol Weight | 594.9 g/mol |
| Molecular Formula | C42H58O2 |
| Exact Mass | 594.443681 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4zCdDONrCw5 |
|---|---|
| Name | (5'cis,11'cis,13'cis)-Beta,psi-caroten-3-yl acetate |
| Alternate Name(s) | Rubixanthin acetate |
| CAS Registry Number | 1686-74-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H58O2 |
| InChI | InChI=1S/C42H58O2/c1-32(2)18-14-21-35(5)24-16-26-36(6)25-15-22-33(3)19-12-13-20-34(4)23-17-27-37(7)28-29-41-38(8)30-40(44-39(9)43)31-42(41,10)11/h12-13,15-20,22-29,40H,14,21,30-31H2,1-11H3/b13-12+,22-15+,23-17+,26-16+,29-28+,33-19+,34-20+,35-24+,36-25+,37-27+ |
| InChIKey | IAKKYYRCCXWDRU-RQQDXWAQSA-N |
| Molecular Weight | 594.924 g/mol |
| SMILES | CC(=O)OC1CC(C)=C(\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C/(C)\C=C\C=C/(C)\C=C\C=C/(C)CCC=C(C)C)C(C)(C)C1 |
| SPLASH | splash10-0007-4932260000-94bdbd85c7b1dbf95770 |
| Source of Spectrum | EP-2346-0-0 |
| Wiley ID | 65155 |