Spektraris NMR
Ambuic acid
Common Name: Ambuic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O6/c1-3-4-5-6-7-8-13-14(11-20)15(21)17-19(25-17,16(13)22)10-9-12(2)18(23)24/h7-9,15,17,20-21H,3-6,10-11H2,1-2H3,(H,23,24)/b8-7+,12-9+
InChIKey: InChIKey=UDSQZJMGPSRCEM-ANKZSMJWSA-N
Formula: C19H26O6
Molecular Weight: 350.406871
Exact Mass: 350.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li J.Y., Harper J.K., Grant D.M., Tombe B.O., Bashyal B., Hess W.M., Strobel G.A Phytochemistry (2001) 56, 463-8
Species:
Notes: Family : Aliphatics, Type : Cyclohexenones; 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 (C) | 171.2 |
| 2 (C) | 131.9 |
| 3 (CH) | 136.6 |
| 4 (CH2) | 28.8 |
| 5 (C) | 61.3 |
| 6 (CH) | 61.1 |
| 7 (CH) | 66 |
| 8 (C) | 150.7 |
| 9 (C) | 132 |
| 10 (C) | 196 |
| 11 (CH) | 122.8 |
| 12 (CH) | 140.3 |
| 13 (CH2) | 34.6 |
| 14 (CH2) | 30 |
| 15 (CH2) | 32.6 |
| 16 (CH2) | 23.6 |
| 17 (CH3) | 14.5 |
| 18 (CH3) | 13 |
| 19 (CH2) | 60.3 |
