Spektraris NMR
Mulinenic acid
Common Name: Mulinenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)15-7-8-17-16-6-5-14(3)9-10-19(16,4)11-12-20(15,17)18(21)22/h5-6,9,13,15-17H,7-8,10-12H2,1-4H3,(H,21,22)/t15-,16+,17+,19-,20+/m1/s1
InChIKey: InChIKey=VLUGUFKIJBWGCW-QQBOBMDFSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Loyola, L.A., Borquez, J., Morales, G., Martin, A.S. Phytochemistry (1997) 44, 649-51
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 |
| 2 (CH2) | 29.4 |
| 3 (CH) | 58.2 |
| 4 (CH) | 32.3 |
| 5 (C) | 59.1 |
| 6 (CH2) | 33.2 |
| 7 (CH2) | 36.9 |
| 8 (C) | 35.4 |
| 9 (CH) | 51 |
| 10 (CH) | 55.6 |
| 11 (CH) | 133.2 |
| 12 (CH) | 128.4 |
| 13 (C) | 132.3 |
| 14 (CH) | 125.9 |
| 15 (CH2) | 41.7 |
| 16 (CH3) | 26.2 |
| 17 (CH3) | 27.7 |
| 18 (CH3) | 23.3 |
| 19 (CH3) | 22.9 |
| 20 (C) | 182.1 |
