| SpectraBase Spectrum ID |
BRvEe1kLutB |
| Name |
Ethyl (3R,4S,5R)-3,4-O-benzoyl shikimate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18O6 |
| InChI |
InChI=1S/C16H18O6/c1-2-21-15(19)11-8-12(17)14(18)13(9-11)22-16(20)10-6-4-3-5-7-10/h3-8,12-14,17-18H,2,9H2,1H3/t12-,13-,14-/m1/s1 |
| InChIKey |
DBCUXCVVPPWZHO-MGPQQGTHSA-N |
| Molecular Weight |
306.314 g/mol |
| SMILES |
O[C@@]1([C@@](C=C(C[C@]1(OC(=O)c1ccccc1)[H])C(=O)OCC)(O)[H])[H] |
| SPLASH |
splash10-0a59-0900000000-3e5aef49efba3785345c |
| Source of Spectrum |
QC-20-126-4 |
| Synonyms |
benzoic acid [(1R,5R,6R)-3-ethoxycarbonyl-5,6-dihydroxy-1-cyclohex-3-enyl] ester
[(1R,5R,6R)-3-ethoxycarbonyl-5,6-dihydroxycyclohex-3-en-1-yl] benzoate
[(1R,5R,6R)-3-ethoxycarbonyl-5,6-dihydroxy-cyclohex-3-en-1-yl] benzoate
[(1R,5R,6R)-3-ethoxycarbonyl-5,6-bis(oxidanyl)cyclohex-3-en-1-yl] benzoate |
| Wiley ID |
1688022 |
