Spektraris NMR
Isocupressic acid
Common Name: Isocupressic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/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/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=DOYKMKZYLAAOGH-DOEMEAPXSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
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) | 19.9 |
| 3 (CH2) | 37.9 |
| 4 (C) | 44.1 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 26 |
| 7 (CH2) | 38.4 |
| 8 (C) | 147.9 |
| 9 (CH) | 56.3 |
| 10 (C) | 40.4 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 38.7 |
| 13 (C) | 140.3 |
| 14 (CH) | 122.8 |
| 15 (CH2) | 59.2 |
| 16 (CH3) | 16.3 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 28.9 |
| 19 (C) | 183.2 |
| 20 (CH3) | 12.8 |
