Spektraris NMR
14-deoxy-12-hydroxyandrographolide
Common Name: 14-deoxy-12-hydroxyandrographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-12-4-5-16-19(2,8-6-17(23)20(16,3)11-21)14(12)10-15(22)13-7-9-25-18(13)24/h7,14-17,21-23H,1,4-6,8-11H2,2-3H3/t14-,15+,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=KHQNSSJNIXVKMK-XWIHJEQYSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 79.9 |
| 4 (C) | 43.2 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 24.6 |
| 7 (CH2) | 38.6 |
| 8 (C) | 149.3 |
| 9 (CH) | 52.4 |
| 10 (C) | 39.6 |
| 11 (CH2) | 31.9 |
| 12 (CH) | 65.9 |
| 13 (C) | 138.2 |
| 14 (CH) | 146.8 |
| 15 (CH2) | 70.7 |
| 16 (C) | 173.6 |
| 17 (CH2) | 107.1 |
| 18 (CH3) | 23.6 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 15.4 |
