Spektraris NMR
Cassipouryl acetate
Common Name: Cassipouryl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H40O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h14,17,19,21H,7-13,15-16H2,1-6H3/b18-14+/t17?,19-,21-/m0/s1
InChIKey: InChIKey=UMBAAYHFKZFIKK-RDFGKNDZSA-N
Formula: C22H40O2
Molecular Weight: 336.55263
Exact Mass: 336.302831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedula, V.S., Norris, A., Miller, J.S., Ratovoson, F., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G. J Nat Prod (2006) 69, 287-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyclophytanes; 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) | 61.52 |
| 2 (CH) | 118.05 |
| 3 (C) | 142.89 |
| 4 (CH2) | 39.94 |
| 5 (CH2) | 25.11 |
| 6 (CH2) | 37.51 |
| 7 (CH) | 32.75 |
| 8 (CH2) | 37.43 |
| 9 (CH2) | 24.54 |
| 10 (CH) | 32.88 |
| 11 (CH) | 28.06 |
| 12 (CH2) | 37.43 |
| 13 (CH2) | 24.88 |
| 14 (CH2) | 39.45 |
| 15 (C) | 36.72 |
| 16 (CH3) | 22.8 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 19.83 |
| 19 (CH3) | 19.8 |
| 20 (CH3) | 16.45 |
| 1a (C) | 171.23 |
| 1b (CH3) | 21.16 |
