Spektraris NMR
16-Hydroxy mulin-11,13-dien-20-oic acid
Common Name: 16-Hydroxy mulin-11,13-dien-20-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13(2)15-6-7-17-16-5-4-14(12-21)8-9-19(16,3)10-11-20(15,17)18(22)23/h4-5,8,13,15-17,21H,6-7,9-12H2,1-3H3,(H,22,23)/t15-,16+,17+,19-,20+/m1/s1
InChIKey: InChIKey=RYCRIMRKTWTLAJ-QQBOBMDFSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Areche, C., Loyola, L.A., Borquez, J., Rovirosa, J., San-Martin, A. Magn Reson Chem (2008) 46, 765-8
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) | 24.6 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 57.7 |
| 4 (CH) | 31.8 |
| 5 (C) | 58.6 |
| 6 (CH2) | 32.7 |
| 7 (CH2) | 36.3 |
| 8 (C) | 34.8 |
| 9 (CH) | 50.4 |
| 10 (CH) | 55.1 |
| 11 (CH) | 134.6 |
| 12 (CH) | 127.5 |
| 13 (C) | 135.9 |
| 14 (CH) | 124.2 |
| 15 (CH2) | 41.1 |
| 16 (CH2) | 69.2 |
| 17 (CH3) | 27.1 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 22.4 |
| 20 (C) | 186.3 |
