Spektraris NMR
Cumbiasin A
Common Name: Cumbiasin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-9(2)14-13-8-11(4)12-7-6-10(3)15-16(21)20(14,24)18(5,23)17(22)19(12,13)15/h10-15,23-24H,1,6-8H2,2-5H3/t10-,11-,12+,13-,14-,15-,18+,19-,20-/m0/s1
InChIKey: InChIKey=MNSYHSSUTWIPGM-PBNGKVIHSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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) | 57.9 |
| 2 (CH) | 52.9 |
| 3 (CH) | 30.7 |
| 4 (CH2) | 34.1 |
| 5 (CH2) | 30.6 |
| 6 (CH) | 40.8 |
| 7 (CH) | 40.4 |
| 8 (CH2) | 40.9 |
| 9 (CH) | 41.4 |
| 10 (CH) | 50.6 |
| 11 (C) | 143.8 |
| 12 (CH2) | 114.5 |
| 13 (CH3) | 22.5 |
| 14 (C) | 210 |
| 15 (C) | 82.7 |
| 16 (C) | 77.2 |
| 17 (C) | 212.8 |
| 18 (CH3) | 22 |
| 19 (CH3) | 21 |
| 20 (CH3) | 17.9 |
