Spektraris NMR
Barbartin C
Common Name: Barbartin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12-6-5-7-14-18(2,9-8-13-10-15(21)25-11-13)20(4,24)17(23)16(22)19(12,14)3/h6,8-10,14,16-17,22-24H,5,7,11H2,1-4H3/b9-8+/t14-,16+,17+,18-,19+,20+/m1/s1
InChIKey: InChIKey=RVXNORLERZFOTB-RMVVWZLHSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, S.J., Tao, J.Y., Liu, K., Jiang, Y.T., Shen, L. Phytochemistry (2006) 67, 1326-30
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) | 26.4 |
| 3 (CH) | 122.6 |
| 4 (C) | 142.4 |
| 5 (C) | 43.3 |
| 6 (CH) | 76.5 |
| 7 (CH) | 74.9 |
| 8 (C) | 77 |
| 9 (C) | 47.9 |
| 10 (CH) | 42.7 |
| 11 (CH) | 147.8 |
| 12 (CH) | 121.5 |
| 13 (C) | 162.3 |
| 14 (CH) | 114.7 |
| 15 (C) | 174.1 |
| 16 (CH2) | 70.7 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 22 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 15.5 |
