Spektraris NMR
Mulin-12,14-dien-11-on-20-oic acid
Common Name: Mulin-12,14-dien-11-on-20-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12(2)14-5-6-15-17-16(21)11-13(3)7-8-19(17,4)9-10-20(14,15)18(22)23/h7-8,11-12,14-15,17H,5-6,9-10H2,1-4H3,(H,22,23)/t14-,15+,17-,19-,20+/m1/s1
InChIKey: InChIKey=DWLMDEDVSJIZSQ-XCVIRLNASA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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) | 24.1 |
| 2 (CH2) | 28.9 |
| 3 (CH) | 57.4 |
| 4 (CH) | 31.7 |
| 5 (C) | 56.9 |
| 6 (CH2) | 33.7 |
| 7 (CH2) | 40.4 |
| 8 (C) | 39.4 |
| 9 (CH) | 60.3 |
| 10 (CH) | 46.8 |
| 11 (C) | 201.1 |
| 12 (CH) | 128.5 |
| 13 (C) | 146.1 |
| 14 (CH) | 127.4 |
| 15 (CH) | 147.8 |
| 16 (CH3) | 27.2 |
| 17 (CH3) | 24.5 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 22.3 |
| 20 (C) | 179 |
