Spektraris NMR
Loganic acid
Common Name: Loganic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1
InChIKey: InChIKey=JNNGEAWILNVFFD-CDJYTOATSA-N
Formula: C16H24O10
Molecular Weight: 376.356402
Exact Mass: 376.136947
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Zhang, X., Xu, Q., Xiao, H., Liang, X. Phytochemistry (2003) 64, 1341-4
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 99.2 |
| 3 (CH) | 153.5 |
| 4 (C) | 116.1 |
| 5 (CH) | 32.5 |
| 6 (CH2) | 42.9 |
| 7 (CH) | 77.1 |
| 8 (CH) | 42.7 |
| 9 (CH) | 47.7 |
| 10 (CH3) | 14.7 |
| 11 (C) | 174.3 |
| 1' (CH) | 101.2 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.3 |
| 4' (CH) | 72.2 |
| 5' (CH) | 79 |
| 6' (CH2) | 63.3 |
