Spektraris NMR
Hydroxy communic acid
Common Name: Hydroxy communic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-5-15(13-21)8-9-16-14(2)7-10-17-19(16,3)11-6-12-20(17,4)18(22)23/h5,8,16-17,21H,1-2,6-7,9-13H2,3-4H3,(H,22,23)/b15-8-/t16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=WQMFCKGZGOSYJD-ZKLPNHAASA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.J., Hwang, S.Y., Wu, M.D., Liao, C.C., Liang, Y.H., Kuo, Y.H., Ho, H.O. Chem Pharm Bull (2008) 56, 585-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.49 |
| 2 (CH2) | 20.12 |
| 3 (CH2) | 38.14 |
| 4 (C) | 44.4 |
| 5 (CH) | 56.44 |
| 6 (CH2) | 26.07 |
| 7 (CH2) | 38.7 |
| 8 (C) | 147.95 |
| 9 (CH) | 56.82 |
| 10 (C) | 40.7 |
| 11 (CH2) | 23.18 |
| 12 (CH) | 137.47 |
| 13 (C) | 136.69 |
| 14 (CH) | 138.91 |
| 15 (CH2) | 111.67 |
| 16 (CH2) | 57.28 |
| 17 (CH2) | 108.09 |
| 18 (CH3) | 29.25 |
| 19 (C) | 183.59 |
| 20 (CH3) | 13.1 |
