Spektraris NMR
6'-O-Acetylloganic acid
Common Name: 6'-O-Acetylloganic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H26O11/c1-6-10(20)3-8-9(16(24)25)4-27-17(12(6)8)29-18-15(23)14(22)13(21)11(28-18)5-26-7(2)19/h4,6,8,10-15,17-18,20-23H,3,5H2,1-2H3,(H,24,25)/t6-,8+,10-,11+,12+,13+,14-,15+,17-,18-/m0/s1
InChIKey: InChIKey=JDYPLWLMGOKQLK-DSXBNBRZSA-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) | 99.5 |
| 3 (CH) | 154 |
| 4 (C) | 115.6 |
| 5 (CH) | 32.5 |
| 6 (CH2) | 43 |
| 7 (CH) | 77.1 |
| 8 (CH) | 42.8 |
| 9 (CH) | 47.6 |
| 10 (CH3) | 14.7 |
| 11 (C) | 174 |
| 1' (CH) | 101.5 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.1 |
| 4' (CH) | 72.1 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 65.7 |
| 6'a (C) | 176.8 |
| 6'b (CH3) | 22.9 |
