Spektraris NMR
14-deoxyandrographolide
Common Name: 14-deoxyandrographolide
Synonyms: 14-deoxyandrographolide
CAS Registry Number:
InChI: InChI=1S/C20H30O4/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/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=GVRNTWSGBWPJGS-YSDSKTICSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
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) | 37.3 |
| 2 (CH2) | 29 |
| 3 (CH) | 80 |
| 4 (C) | 43.3 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 24.7 |
| 7 (CH2) | 38.6 |
| 8 (C) | 148 |
| 9 (CH) | 56.5 |
| 10 (C) | 39.5 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 25 |
| 13 (C) | 134.2 |
| 14 (CH) | 145.2 |
| 15 (CH2) | 70.5 |
| 16 (C) | 174.4 |
| 17 (CH2) | 107.1 |
| 18 (CH3) | 23.6 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 15.3 |
