Spektraris NMR
Cumbiasin B
Common Name: Cumbiasin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-9(2)14-13-8-10(3)12-7-6-11(4)19(24)16(22)20(14,25)17(5,23)15(21)18(12,13)19/h10-14,23-25H,1,6-8H2,2-5H3/t10-,11-,12+,13-,14-,17+,18+,19+,20-/m0/s1
InChIKey: InChIKey=NIGDSNLMOHADOK-JQNHYQBWSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Ramirez, C., Shi, Y.P. J Org Chem (2000) 65, 6682-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cumbianes; 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 (C) | 63.6 |
| 2 (C) | 75.5 |
| 3 (CH) | 33.6 |
| 4 (CH2) | 28.9 |
| 5 (CH2) | 30.8 |
| 6 (CH) | 39.1 |
| 7 (CH) | 40.3 |
| 8 (CH2) | 40.7 |
| 9 (CH) | 41 |
| 10 (CH) | 49.9 |
| 11 (C) | 143.8 |
| 12 (CH2) | 114.4 |
| 13 (CH3) | 21.9 |
| 14 (C) | 208.8 |
| 15 (C) | 83 |
| 16 (C) | 77.9 |
| 17 (C) | 213.6 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 17.9 |
