Spektraris NMR
Deoxyaulacocarpin A
Common Name: Deoxyaulacocarpin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O4/c1-19(2)9-5-10-20(3)16(19)8-11-21(13-25-21)17(20)7-6-14(15-12-24-15)18(22)23-4/h6,15-17H,5,7-13H2,1-4H3/b14-6+/t15?,16-,17+,20-,21+/m0/s1
InChIKey: InChIKey=ZLHMCXAVSLJKRX-SHUNQTBMSA-N
Formula: C21H32O4
Molecular Weight: 348.477178
Exact Mass: 348.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kenmogne, M., Prost, E., Harakat, D., Jacquier, M.J., Frederich, M., Sondengam, L.B., Zeches, M., Waffo-Teguo, P. Phytochemistry (2006) 67, 433-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.3 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 36 |
| 8 (C) | 57.7 |
| 9 (CH) | 53 |
| 10 (C) | 40 |
| 11 (CH2) | 21 |
| 12 (CH) | 150.7 |
| 13 (C) | 127.4 |
| 14 (CH) | 48.6 |
| 15 (CH2) | 47.9 |
| 16 (C) | 166.8 |
| 17 (CH2) | 49.2 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 14.8 |
| 16a (CH3) | 52.1 |
