Spektraris NMR
Thuriferic acid
Common Name: Thuriferic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O8/c1-10-18(22(24)25)19(11-5-16(26-2)21(28-4)17(6-11)27-3)12-7-14-15(30-9-29-14)8-13(12)20(10)23/h5-8,18-19H,1,9H2,2-4H3,(H,24,25)/t18-,19-/m1/s1
InChIKey: InChIKey=HLSXUNBUCPHTDA-RTBURBONSA-N
Formula: C22H20O8
Molecular Weight: 412.390244
Exact Mass: 412.115818
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lopez-Perez, J.L., del Olmo E., Pascual-Teresa B., Merino M., San Feliciano A. Tetrahedron (1996) 52, 4903-4910
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 126.99 |
| 2 (C) | 139.55 |
| 3 (CH) | 108.55 |
| 4 (C) | 152.73 |
| 5 (C) | 147.64 |
| 6 (CH) | 106.23 |
| 7 (C) | 184.07 |
| 8 (C) | 137.9 |
| 9 (CH2) | 126 |
| 1' (C) | 136.69 |
| 2' (CH) | 105.35 |
| 3' (C) | 152.86 |
| 4' (C) | 136.69 |
| 5' (C) | 152.86 |
| 6' (CH) | 105.35 |
| 7' (CH) | 47.66 |
| 8' (CH) | 54.86 |
| 9' (C) | 174.55 |
| 4a (CH2) | 101.75 |
| 3'a (CH3) | 55.75 |
| 4'a (CH3) | 60.3 |
| 5'a (CH3) | 55.75 |
