| SpectraBase Compound ID | J01N817edj6 |
|---|---|
| InChI | InChI=1S/C33H44O11/c1-19(15-16-25-21(3)14-11-17-33(25,7)8)12-10-13-20(2)18-26(37)43-32-30(42-24(6)36)28(41-23(5)35)27(40-22(4)34)29(44-32)31(38)39-9/h10,12-13,15-16,18,27-30,32H,11,14,17H2,1-9H3/b13-10+,16-15+,19-12+,20-18+ |
| InChIKey | DSIWVPKQBPNCAD-VVYUTNTRSA-N |
| Mol Weight | 616.7 g/mol |
| Molecular Formula | C33H44O11 |
| Exact Mass | 616.288362 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2iWyF5kisy |
|---|---|
| Name | 1-O-Retinoyl .beta.-D-methyl-2',3'-4'-tri-O-acetylglucopyranuronate |
| CAS Registry Number | 101470-88-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H44O11 |
| InChI | InChI=1S/C33H44O11/c1-19(15-16-25-21(3)14-11-17-33(25,7)8)12-10-13-20(2)18-26(37)43-32-30(42-24(6)36)28(41-23(5)35)27(40-22(4)34)29(44-32)31(38)39-9/h10,12-13,15-16,18,27-30,32H,11,14,17H2,1-9H3/b13-10+,16-15+,19-12+,20-18+ |
| InChIKey | DSIWVPKQBPNCAD-VVYUTNTRSA-N |
| Molecular Weight | 616.704 g/mol |
| SMILES | COC(=O)C1OC(OC(=O)\C=C/(C)\C=C\C=C/(C)\C=C\C2=C(C)CCCC2(C)C)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| SPLASH | splash10-0a4j-4940000000-2e3d485648e1417ecbc8 |
| Source of Spectrum | W5-1989-38487-27049 |
| Synonyms | 3,4,5-triacetoxy-6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-tetrahydropyran-2-carboxylic acid methyl ester 3,4,5-triacetyloxy-6-[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-2-oxanecarboxylic acid methyl ester Methyl 3,4,5-triacetoxy-6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-tetrahydropyran-2-carboxylate Methyl 3,4,5-triacetyloxy-6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-oxane-2-carboxylate |
| Wiley ID | 1411318 |