Spektraris NMR
Mulin-12-ene-11,14-dion-20-oic acid
Common Name: Mulin-12-ene-11,14-dion-20-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-11(2)13-5-6-14-17-15(21)9-12(3)16(22)10-19(17,4)7-8-20(13,14)18(23)24/h9,11,13-14,17H,5-8,10H2,1-4H3,(H,23,24)/t13-,14+,17-,19+,20+/m1/s1
InChIKey: InChIKey=GJCBFSOLWIBJCP-FQUQYDMUSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wachter, G.A., Matooq, G., Hoffmann, J.J., Maiese, W.M., Singh, M.P., Montenegro, G., Timmermann, B.N. J Nat Prod (1999) 62, 1319-21
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) | 24.9 |
| 2 (CH2) | 29.3 |
| 3 (CH) | 57.7 |
| 4 (CH) | 32.3 |
| 5 (C) | 57.7 |
| 6 (CH2) | 33.1 |
| 7 (CH2) | 41.4 |
| 8 (C) | 36.3 |
| 9 (CH) | 63.4 |
| 10 (CH) | 48.8 |
| 11 (C) | 203.8 |
| 12 (CH) | 133.5 |
| 13 (C) | 148.1 |
| 14 (C) | 203.8 |
| 15 (CH2) | 53.2 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 28.9 |
| 18 (CH3) | 22.9 |
| 19 (CH3) | 22.5 |
| 20 (C) | 176.2 |
