Spektraris NMR
Tessaric acid
Common Name: Tessaric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9-6-13(16)7-12-5-4-11(8-15(9,12)3)10(2)14(17)18/h7,9,11H,2,4-6,8H2,1,3H3,(H,17,18)/t9-,11+,15+/m0/s1
InChIKey: InChIKey=GAWKUNMREBFQOL-ZVWUFJHRSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zheng, Q.X., Xu, Z.J., Sun, X.F., Gueritte, F., Cesario, M., Sun, H.D., Cheng, C.H., Hao, X.J., Zhao, Y. J Nat Prod (2003) 66, 1078-81
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 126 |
| 2 (C) | 201.9 |
| 3 (CH2) | 40.7 |
| 4 (CH) | 33.8 |
| 5 (C) | 41.7 |
| 6 (CH2) | 30 |
| 7 (CH) | 37.3 |
| 8 (CH2) | 30 |
| 9 (CH2) | 42.9 |
| 10 (C) | 146.3 |
| 11 (C) | 170.2 |
| 12 (CH2) | 123.6 |
| 13 (C) | 177.6 |
| 14 (CH3) | 19.3 |
| 15 (CH3) | 15.7 |
