Spektraris NMR
7-Deoxyloganic acid
Common Name: 7-Deoxyloganic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1
InChIKey: InChIKey=DSXFHNSGLYXPNG-YDYVGBNJSA-N
Formula: C16H24O9
Molecular Weight: 360.356997
Exact Mass: 360.142032
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muhammad, I., Dunbar, D.C., Khan, R.A., Ganzera, M., Khan, I.A. Phytochemistry (2001) 57, 781-5
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) | 96.9 |
| 3 (CH) | 151.8 |
| 4 (C) | 112 |
| 5 (CH) | 34.3 |
| 6 (CH2) | 32.4 |
| 7 (CH2) | 33.2 |
| 8 (CH) | 35.6 |
| 9 (CH) | 48.2 |
| 10 (CH3) | 19.9 |
| 11 (C) | 170.1 |
| 1' (CH) | 99.2 |
| 3' (CH) | 73.8 |
| 4' (CH) | 77 |
| 5' (CH) | 70.6 |
| 6' (CH) | 77.3 |
| 3'a (CH2) | 61.9 |
