Spektraris NMR
Canaric acid
Common Name: Canaric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19(2)21-11-14-27(5)17-18-29(7)23(26(21)27)9-10-24-28(6,15-13-25(31)32)22(20(3)4)12-16-30(24,29)8/h21-24,26H,1,3,9-18H2,2,4-8H3,(H,31,32)/t21-,22-,23+,24+,26+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=QQMJMPCYCIGUQX-JGFKHHSSSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lopes, M.N., Mazza, F.C., Young, M.C.M., Bolzani, V.d.S. J Braz Chem Soc (1999) 10, 237-40
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 33.9 |
| 2 (CH2) | 28.36 |
| 3 (C) | 179.91 |
| 4 (C) | 147.58 |
| 5 (CH) | 40.74 |
| 6 (CH2) | 24.19 |
| 7 (CH2) | 33.94 |
| 8 (C) | 39.9 |
| 9 (CH) | 50.39 |
| 10 (C) | 39.24 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 27.45 |
| 13 (CH) | 38.1 |
| 14 (C) | 43.19 |
| 15 (CH2) | 27.45 |
| 16 (CH2) | 35.51 |
| 17 (C) | 43.19 |
| 18 (CH) | 48.22 |
| 19 (CH) | 47.93 |
| 20 (C) | 150.78 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 40.55 |
| 23 (CH3) | 20.09 |
| 24 (CH2) | 113.38 |
| 25 (CH3) | 23.22 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.54 |
| 28 (CH3) | 18.01 |
| 29 (CH2) | 109.5 |
| 30 (CH3) | 19.21 |
