Spektraris NMR
Baclinal
Common Name: Baclinal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-4-15(12-21)9-10-19(3)14(2)8-11-20-13-23-18(22)16(20)6-5-7-17(19)20/h4,6,12,14,17H,5,7-11,13H2,1-3H3/b15-4+/t14-,17-,19+,20-/m1/s1
InChIKey: InChIKey=HQZFZAIOHQONTD-RHRPYDBBSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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) | 19.5 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 136.2 |
| 4 (C) | 138.5 |
| 5 (C) | 45.6 |
| 6 (CH2) | 34.4 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 36.5 |
| 9 (C) | 38.9 |
| 10 (CH) | 47.9 |
| 11 (CH2) | 35.9 |
| 12 (CH2) | 17.1 |
| 13 (C) | 144.7 |
| 14 (CH) | 149.4 |
| 15 (CH3) | 14.6 |
| 16 (CH) | 194.5 |
| 17 (CH3) | 15.6 |
| 18 (C) | 169.9 |
| 19 (CH2) | 71.8 |
| 20 (CH3) | 17.4 |
