Spektraris NMR
rel-(8R,9R)-Carrizaloic acid
Common Name: rel-(8R,9R)-Carrizaloic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O5/c1-17(2)14(18(3,22)8-7-15(17)19)10-12-9-11(16(20)21)5-6-13(12)23-4/h5-9,14,22H,10H2,1-4H3,(H,20,21)/t14?,18-/m1/s1
InChIKey: InChIKey=VWTHQOHALJUZPE-XPKAQORNSA-N
Formula: C18H22O5
Molecular Weight: 318.364967
Exact Mass: 318.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Villarroel, L., Torres, R., Urzua, A., Reina, M., Cabrera, R., Gonzalez-Coloma, A. J Nat Prod (2001) 64, 1123-6
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Diphenylmethanes; 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) | 53.8 |
| 2 (C) | 46 |
| 3 (C) | 203.8 |
| 4 (CH) | 124.9 |
| 5 (CH) | 155 |
| 6 (C) | 72.1 |
| 1' (C) | 130.5 |
| 2' (CH) | 132.7 |
| 3' (C) | 121.7 |
| 4' (CH) | 130.7 |
| 5' (CH) | 110.3 |
| 6' (C) | 161.5 |
| 7' (CH2) | 28.4 |
| 2a (CH3) | 25.2 |
| 2b (CH3) | 21.1 |
| 6a (CH3) | 25.5 |
| 3'a (C) | 170.2 |
| 6'a (CH3) | 55.7 |
