Spektraris NMR
Grandifloric acid
Common Name: Grandifloric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O9/c16-5-8-10(17)11(18)12(19)15(23-8)24-14-9-6(3-4-22-14)1-2-7(9)13(20)21/h3-4,6-12,14-19H,1-2,5H2,(H,20,21)/t6-,7+,8-,9+,10-,11+,12-,14+,15+/m1/s1
InChIKey: InChIKey=ZUKLFFYDSALIQW-FFJINZJLSA-N
Formula: C15H22O9
Molecular Weight: 346.330379
Exact Mass: 346.126382
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Kasai, R., Yamasaki, K. Phytochemistry (2002) 60, 769-71
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) | 96.2 |
| 3 (CH) | 140.3 |
| 4 (CH) | 108.2 |
| 5 (CH) | 34.4 |
| 6 (CH2) | 33.1 |
| 7 (CH2) | 29.8 |
| 8 (CH) | 46.8 |
| 9 (CH) | 48.4 |
| 10 (C) | 185.7 |
| 1' (CH) | 99.8 |
| 2' (CH) | 74.8 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 62.8 |
