| SpectraBase Compound ID | 2v1i1MJ8nJe |
|---|---|
| InChI | InChI=1S/C33H46O10/c1-20(15-16-26-22(3)14-11-18-33(26,7)8)12-10-13-21(2)17-19-39-32-30(42-25(6)36)28(41-24(5)35)27(40-23(4)34)29(43-32)31(37)38-9/h10,12-13,15-17,27-30,32H,11,14,18-19H2,1-9H3/b13-10+,16-15+,20-12+,21-17+ |
| InChIKey | HLJFMQVZCHEYOT-ZFBLTUJOSA-N |
| Mol Weight | 602.7 g/mol |
| Molecular Formula | C33H46O10 |
| Exact Mass | 602.309098 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6AIlXRfNikv |
|---|---|
| Name | Methyl (1-O-retinyl-2,3,4-triacetyl-.beta.-D-glucopyran)uronate |
| Alternate Name(s) | 3,4,5-triacetyloxy-6-[(2E,4E,6E,8E)-3,7-dimethyl-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-tetraenoxy]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-tetraenoxy]oxane-2-carboxylate |
| CAS Registry Number | 109054-56-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H46O10 |
| InChI | InChI=1S/C33H46O10/c1-20(15-16-26-22(3)14-11-18-33(26,7)8)12-10-13-21(2)17-19-39-32-30(42-25(6)36)28(41-24(5)35)27(40-23(4)34)29(43-32)31(37)38-9/h10,12-13,15-17,27-30,32H,11,14,18-19H2,1-9H3/b13-10+,16-15+,20-12+,21-17+ |
| InChIKey | HLJFMQVZCHEYOT-ZFBLTUJOSA-N |
| Molecular Weight | 602.721 g/mol |
| SMILES | C1(C(OC(C(C1OC(C)=O)OC(C)=O)OC\C=C\(\C=C\C=C\(\C=C\C=1C(C)(C)CCCC1C)C)C)C(OC)=O)OC(C)=O |
| SPLASH | splash10-05fr-7940000000-ad443530bf6ae6963151 |
| Source of Spectrum | NP-16-1013-0 |
| Wiley ID | 1113164 |