| SpectraBase Compound ID | 8Muj70Cnt5a |
|---|---|
| InChI | InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23+,38-24+ |
| InChIKey | VWXMLZQUDPCJPL-PCCDYLTASA-N |
| Mol Weight | 562.8 g/mol |
| Molecular Formula | C40H50O2 |
| Exact Mass | 562.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HTRSEsuIVam |
|---|---|
| Name | Rhodoxanthin, all-trans- |
| Alternate Name(s) | (4Z)-3,5,5-trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanylidene-cyclohex-2-en-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohex-2-en-1-one (4Z)-3,5,5-trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxo-1-cyclohex-2-enylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]-1-cyclohex-2-enone (4Z)-3,5,5-trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohex-2-en-1-one (4Z)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-(4-keto-2,6,6-trimethyl-cyclohex-2-en-1-ylidene)-3,7,12,16-tetramethyl-octadeca-2,4,6,8,10,12,14,16-octaenylidene]-3,5,5-trimethyl-cyclohex-2-en-1-one all-trans-Rhodoxanthin Retro-.beta.-Carotene-3,3'-dione, 4',5'-didehydro-, all-trans- Rhodoxanthin 4,5'-retro-.beta.,.beta.-Carotene-3,3'-dione, 4',5'-didehydro- |
| CAS Registry Number | 116-30-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H50O2 |
| InChI | InChI=1S/C40H50O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23+,38-24+ |
| InChIKey | VWXMLZQUDPCJPL-PCCDYLTASA-N |
| Molecular Weight | 562.838 g/mol |
| SMILES | C\C(\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C/1C(C)=CC(=O)CC1(C)C)=C/C=C/C(C)=C/C=C\1C(C)=CC(=O)CC1(C)C |
| SPLASH | splash10-0btc-2941240000-7db42424e5f5e71e2d16 |
| Source of Spectrum | JZ-1992-3038-0 |
| Wiley ID | 1406999 |