Spektraris NMR
12-epi-14-deoxy-12-methoxyandrographolide
Common Name: 12-epi-14-deoxy-12-methoxyandrographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-13-5-6-17-20(2,9-7-18(23)21(17,3)12-22)15(13)11-16(25-4)14-8-10-26-19(14)24/h8,15-18,22-23H,1,5-7,9-12H2,2-4H3/t15-,16+,17+,18-,20+,21+/m1/s1
InChIKey: InChIKey=SJKRRZPXYGTAGA-SBPVMYIFSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
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) | 37.2 |
| 2 (CH2) | 29 |
| 3 (CH) | 79.9 |
| 4 (C) | 43.2 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 24.6 |
| 7 (CH2) | 38.5 |
| 8 (C) | 149.1 |
| 9 (CH) | 52.1 |
| 10 (C) | 39.5 |
| 11 (CH2) | 29.4 |
| 12 (CH) | 75.7 |
| 13 (C) | 134.1 |
| 14 (CH) | 148.8 |
| 15 (CH2) | 70.8 |
| 16 (C) | 173.2 |
| 17 (CH2) | 107.2 |
| 18 (CH3) | 23.5 |
| 19 (CH2) | 64.1 |
| 20 (CH3) | 15.3 |
| 12a (CH3) | 56.7 |
