Spektraris NMR
Mulinolic acid
Common Name: Mulinolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13(2)14-5-6-16-15-7-8-19(4,23)11-9-18(15,3)10-12-20(14,16)17(21)22/h7-8,13-16,23H,5-6,9-12H2,1-4H3,(H,21,22)/t14-,15+,16+,18-,19+,20+/m1/s1
InChIKey: InChIKey=LRZJASNGRXSNCR-MXFTUIMMSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chiaramello, A.I., Ardanaz, C.E., Garcia, E.E., Rossomando, P.C. Phytochemistry (2003) 63, 883-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Mulinanes; 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) | 25 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 57.4 |
| 4 (CH) | 31.8 |
| 5 (C) | 58.1 |
| 6 (CH2) | 32.1 |
| 7 (CH2) | 41.9 |
| 8 (C) | 35.6 |
| 9 (CH) | 48.4 |
| 10 (CH) | 51.3 |
| 11 (CH) | 133.5 |
| 12 (CH) | 136.3 |
| 13 (C) | 71.1 |
| 14 (CH2) | 35.9 |
| 15 (CH2) | 30.2 |
| 16 (CH3) | 33.5 |
| 17 (CH3) | 27.3 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 22.3 |
| 20 (C) | 179.9 |
