Spektraris NMR
Imbricatolic acid
Common Name: Imbricatolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14-,16+,17-,19-,20+/m1/s1
InChIKey: InChIKey=NSRKLZRKJJQJLD-YESPVIGUSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14
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) | 39.1 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 38 |
| 4 (C) | 44.1 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 26 |
| 7 (CH2) | 38.7 |
| 8 (C) | 148.2 |
| 9 (CH) | 56.6 |
| 10 (C) | 40.5 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 36.4 |
| 13 (CH) | 30.2 |
| 14 (CH2) | 39.5 |
| 15 (CH2) | 61.2 |
| 16 (CH3) | 19.8 |
| 17 (CH2) | 106.3 |
| 18 (CH3) | 29 |
| 19 (C) | 183.3 |
| 20 (CH3) | 12.7 |
