Spektraris NMR
4'-O-Acetylloganic acid
Common Name: 4'-O-Acetylloganic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H26O11/c1-6-10(21)3-8-9(16(24)25)5-26-17(12(6)8)29-18-14(23)13(22)15(27-7(2)20)11(4-19)28-18/h5-6,8,10-15,17-19,21-23H,3-4H2,1-2H3,(H,24,25)/t6-,8+,10-,11+,12+,13+,14+,15+,17-,18-/m0/s1
InChIKey: InChIKey=PMWSVNPTJDKITH-XARQPRMKSA-N
Formula: C18H26O11
Molecular Weight: 418.39316
Exact Mass: 418.147512
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) | 99.4 |
| 3 (CH) | 153.4 |
| 4 (C) | 116.2 |
| 5 (CH) | 32.4 |
| 6 (CH2) | 42.9 |
| 7 (CH) | 77.1 |
| 8 (CH) | 42.7 |
| 9 (CH) | 47.6 |
| 10 (CH3) | 14.7 |
| 11 (C) | 174.3 |
| 1' (CH) | 101.2 |
| 2' (CH) | 75.2 |
| 3' (CH) | 76.2 |
| 4' (CH) | 73.5 |
| 5' (CH) | 76.7 |
| 6' (CH2) | 62.8 |
| 4'a (C) | 176.4 |
| 4'b (CH3) | 23.1 |
