| SpectraBase Compound ID | GCIZKyITHyl |
|---|---|
| InChI | InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+ |
| InChIKey | MTGFYEHKPMOVNE-YCNIQYBTSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C26H36O8 |
| Exact Mass | 476.241018 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EJgzgwUUmSk |
|---|---|
| Name | 1-O-Retinoyl-.beta.-D-glucopyranuronic acid |
| CAS Registry Number | 401-10-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H36O8 |
| InChI | InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+ |
| InChIKey | MTGFYEHKPMOVNE-YCNIQYBTSA-N |
| Molecular Weight | 476.566 g/mol |
| SMILES | OC1C(C(C(OC1C(O)=O)OC(\C=C\(\C=C\C=C\(\C=C\C1=C(C)CCCC1(C)C)C)C)=O)O)O |
| SPLASH | splash10-0udi-0945000000-0f6a7f2dcc056b01b8f0 |
| Source of Spectrum | W5-1989-38486-27050 |
| Synonyms | 13-cis-retinoyl glucuronide 6-[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid 6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid 6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Glucuronide Retinoyl glucuronide |
| Wiley ID | 1394307 |