Glucopyranosyl retinoate
[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Also Known As: Glucopyranosyl retinoate|glucopyranosylretinoate|Glc-9-cis-RA|Retinoic acid glucose ester|beta-D-Glucopyranosyl retinoate|all-trans Retinoyl beta-glucose|beta-Glucopyranosyl 9-cis-retinoate|[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
| Molecular Formula | C26H38O7 |
|---|---|
| Molecular Weight | 462.26175 g/mol |
| LogP | 2.8611 |
| Topological Polar Surface Area | 116.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 462.26175 |
| Monoisotopic Mass | 462.26175 |
| Heavy Atoms | 33 |
| Complexity | 844.7017 |
Chemical Identifiers
| CAS Number | 71869-12-0 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)\C)/C |
Product Overview
Glucopyranosyl retinoate (CAS 71869-12-0), with molecular formula C26H38O7 and molecular weight 462.26175 g/mol. IUPAC: [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate.
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