Spektraris NMR
Uproeunioloic acid methyl ester
Common Name: Uproeunioloic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O4/c1-15-8-6-11-20(3,23)12-7-13-21(4)18(25-21)14-17(10-9-15)16(2)19(22)24-5/h7-8,12,17-18,23H,2,6,9-11,13-14H2,1,3-5H3/b12-7+,15-8+/t17-,18-,20+,21+/m0/s1
InChIKey: InChIKey=HRPMNAKVKOFOIM-PHMBTTTGSA-N
Formula: C21H32O4
Molecular Weight: 348.477178
Exact Mass: 348.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A., Acosta, A.L. J Nat Prod (1997) 60, 1134-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 37.7 |
| 2 (CH2) | 34.9 |
| 3 (CH) | 61.3 |
| 4 (C) | 60.3 |
| 5 (CH2) | 40.9 |
| 6 (CH) | 126.6 |
| 7 (CH) | 137.9 |
| 8 (C) | 73 |
| 9 (CH2) | 37.8 |
| 10 (CH2) | 23 |
| 11 (CH) | 122.5 |
| 12 (C) | 135.3 |
| 13 (CH2) | 39.8 |
| 14 (CH2) | 27.4 |
| 15 (C) | 142.8 |
| 16 (C) | 167.4 |
| 17 (CH2) | 124.4 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 27.2 |
| 20 (CH3) | 17.7 |
| 16a (CH3) | 51.8 |
