| SpectraBase Spectrum ID |
KEwaPK3C7jB |
| Name |
(1R,4S,5R,6S)-5-(benzoyloxymethyl)-4,5,6-trihydroxy-cyclohex-2-ene-1-ol, benzoic acid |
| CAS Registry Number |
78804-17-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20O7 |
| InChI |
InChI=1S/C21H20O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2/t16-,17+,18+,21-/m1/s1 |
| InChIKey |
AWCUZBLYCWUTRL-OEMYIYORSA-N |
| Literature Reference DOI |
10.1021/jo00334a033 |
| Molecular Weight |
384.384 g/mol |
| SMILES |
O[C@@]1([C@@]([C@]([C@@](C=C1)(OC(=O)c1ccccc1)[H])(O)[H])(COC(=O)c1ccccc1)O)[H] |
| SPLASH |
splash10-0pka-8930000000-57c4737c35238492629c |
| Source of Spectrum |
J-46-4271-0 |
| Wiley ID |
1361509 |
