Spektraris NMR
Baclinicacid
Common Name: Baclinicacid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-14-10-19(2)11-16(18(24)25)4-3-5-17(19)20(14,13-23)8-6-15(12-22)7-9-21/h4,7,14,17,21-23H,3,5-6,8-13H2,1-2H3,(H,24,25)/b15-7-/t14-,17+,19-,20-/m1/s1
InChIKey: InChIKey=JCWINCIZDNXUMA-SPQHETMKSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Boneva, I.M. Phytochemistry (1996) 41, 855-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 16.8 |
| 2 (CH2) | 26 |
| 3 (CH) | 142.9 |
| 4 (C) | 136.2 |
| 5 (CH2) | 37 |
| 6 (C) | 38.2 |
| 7 (CH2) | 26.9 |
| 8 (CH) | 36 |
| 9 (C) | 46.1 |
| 10 (CH) | 41.8 |
| 11 (CH2) | 37 |
| 12 (CH2) | 27.3 |
| 13 (C) | 148.1 |
| 14 (CH) | 126.1 |
| 15 (CH2) | 57 |
| 16 (CH2) | 58.5 |
| 17 (CH3) | 18.9 |
| 18 (C) | 175.9 |
| 19 (CH3) | 15.9 |
| 20 (CH2) | 64.4 |
