Spektraris NMR
14-Deoxy-11,12-didehydroandrographolide
Common Name: 14-Deoxy-11,12-didehydroandrographolide
Synonyms: 14-Deoxy-11,12-didehydroandrographolide
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=XMJAJFVLHDIEHF-CRBRZBHVSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Matsuda, T., Kuroyanagi, M., Sugiyama, S., Umehara, K., Ueno, A., Nishi, K. Chem Pharm Bull (1994) 42, 1216-25
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) | 38.7 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 80.1 |
| 4 (C) | 43.3 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 23.6 |
| 7 (CH2) | 37 |
| 8 (C) | 149.2 |
| 9 (CH) | 61.7 |
| 10 (C) | 39 |
| 11 (CH) | 135.6 |
| 12 (CH) | 121.9 |
| 13 (C) | 128.8 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 70.3 |
| 16 (C) | 172.8 |
| 17 (CH2) | 108.7 |
| 18 (CH3) | 23.6 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 16 |
