| SpectraBase Spectrum ID |
FE0tnU3Y813 |
| Name |
3-BETA-O-TRANS-CAFFEOYL-1,4,5-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C16H18O9 |
| InChI |
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11?,12-,14?,16?/m0/s1 |
| InChIKey |
CWVRJTMFETXNAD-JCFFCBJISA-N |
| Literature Reference Author |
M.HARIBAL,P.FEENY,C.C.LESTER |
| Literature Reference Citation |
PHYTOCHEM.,49,103(1998) |
| Literature Reference DOI |
10.1016/S0031-9422(97)00804-2 |
| Molecular Weight |
354.314 g/mol |
| Solvent |
DMSO-D6 |
| Source File Reference |
UWLU1176 |
