Spektraris NMR
6a-Dihydrocornic acid
Common Name: 6a-Dihydrocornic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O10/c1-5-2-7(18)10-6(14(22)23)4-24-15(9(5)10)26-16-13(21)12(20)11(19)8(3-17)25-16/h4-5,7-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,7-,8+,9+,10-,11+,12-,13+,15+,16-/m0/s1
InChIKey: InChIKey=YQLBRAQABHCUCV-FQXBGLMBSA-N
Formula: C16H24O10
Molecular Weight: 376.356402
Exact Mass: 376.136947
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Tanaka, T., Fujioka, T., Fujii, H., Mihashi, K., Shimomura, K., Ishimaru, K. Phytochemistry (2001) 57, 1287-91
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) | 101.2 |
| 3 (CH) | 155.9 |
| 4 (C) | 107.4 |
| 5 (CH) | 43.5 |
| 6 (CH) | 75.1 |
| 7 (CH2) | 43.2 |
| 8 (CH) | 35.2 |
| 9 (CH) | 47 |
| 2' (CH) | 21.9 |
| 4' (CH) | 171.1 |
| 5' (CH) | 100.4 |
| 6' (CH) | 74.9 |
| 7' (CH) | 78.1 |
| 4a (C) | 71.7 |
| 8a (CH3) | 78.5 |
| 4'a (CH2) | 63 |
