Spektraris NMR
2-Acetyl ent-dihydrotucumanoic acid
Common Name: 2-Acetyl ent-dihydrotucumanoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O6/c1-13(11-18(24)25)7-9-20(4)14(2)8-10-21(5)17(20)12-16(28-15(3)23)19(26)22(21,6)27/h13-14,16-17,19,26-27H,7-12H2,1-6H3,(H,24,25)/t13-,14-,16-,17-,19-,20+,21-,22+/m0/s1
InChIKey: InChIKey=QGNGYGVZRYEDPJ-MZLWITHNSA-N
Formula: C22H38O6
Molecular Weight: 398.534368
Exact Mass: 398.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martinez, R., Calderon, J.S., Toscano, R.A., Valle-Aguilera, L., Mendoza-Candelaria, H.M. Phytochemistry (1994) 35, 1505-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 26.2 |
| 2 (CH) | 73.4 |
| 3 (CH) | 75.8 |
| 4 (C) | 76.4 |
| 5 (C) | 40.4 |
| 6 (CH2) | 29 |
| 7 (CH2) | 21.8 |
| 8 (CH) | 35.2 |
| 9 (C) | 38 |
| 10 (CH) | 38.3 |
| 11 (CH2) | 35.5 |
| 12 (CH2) | 31.6 |
| 13 (CH) | 30.4 |
| 14 (CH2) | 41.1 |
| 15 (C) | 174.8 |
| 16 (CH3) | 18.1 |
| 17 (CH3) | 15.6 |
| 18 (CH3) | 21.1 |
| 19 (CH3) | 19.5 |
| 20 (CH3) | 16.7 |
| 2a (C) | 169.6 |
| 2b (CH3) | 21 |
