Spektraris NMR
Polygonic acid
Common Name: Polygonic acid
Synonyms: Polygonic acid
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-14(2)7-4-8-15(3)11(14)6-5-10(9-16)12(15)13(17)18/h5,9,11-12H,4,6-8H2,1-3H3,(H,17,18)/t11-,12+,15-/m0/s1
InChIKey: InChIKey=LRXXFRKMFULWQZ-ZOWXZIJZSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fukuyama, Y., Sato, T., Mura, I., Asakawa, Y. Phytochemistry (1985) 24, 1521-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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 (CH2) | 40.1 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 42 |
| 4 (C) | 33.2 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 151 |
| 8 (C) | 139.1 |
| 9 (CH) | 55.3 |
| 10 (C) | 35.7 |
| 11 (C) | 176.6 |
| 12 (CH) | 192.6 |
| 13 (CH3) | 33.3 |
| 14 (CH3) | 22.1 |
| 15 (CH3) | 15.2 |
