Spektraris NMR
Colombiasin A
Common Name: Colombiasin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-10-7-14-8-11(2)15-6-5-12(3)19(9-10)18(23)16(21)13(4)17(22)20(14,15)19/h7,11-12,14-15,21H,5-6,8-9H2,1-4H3/t11-,12-,14?,15+,19+,20-/m0/s1
InChIKey: InChIKey=CGNQDBPLJCEZON-UNTAJXMPSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Ramirez, C. Org Lett (2000) 2, 507-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Colombianes; 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) | 64 |
| 2 (C) | 51.6 |
| 3 (CH) | 33.6 |
| 4 (CH2) | 31.1 |
| 5 (CH2) | 31.8 |
| 6 (CH) | 39.5 |
| 7 (CH) | 48.2 |
| 8 (CH2) | 33.5 |
| 9 (CH) | 38.7 |
| 10 (CH) | 123.9 |
| 11 (C) | 128.9 |
| 12 (CH2) | 36.3 |
| 13 (CH3) | 22.8 |
| 14 (C) | 202.6 |
| 15 (C) | 120.4 |
| 16 (C) | 149.5 |
| 17 (C) | 199.6 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 9.7 |
