Spektraris NMR
12S-Hydroxyandrographolide
Common Name: 12S-Hydroxyandrographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O6/c1-11-4-5-15-19(2,7-6-16(24)20(15,3)10-21)12(11)8-13(22)17-14(23)9-26-18(17)25/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16-,17?,19+,20+/m1/s1
InChIKey: InChIKey=NLYQWYLWLQBMPF-BRQCOXQQSA-N
Formula: C20H32O6
Molecular Weight: 368.465252
Exact Mass: 368.219889
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shen, Y.H., Li, R.T., Xiao, W.L., Xu, G., Lin, Z.W., Zhao, Q.S., Sun, H.D. J Nat Prod (2006) 69, 319-22
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) | 37.9 |
| 2 (CH2) | 29 |
| 3 (CH) | 81 |
| 4 (C) | 43.7 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 25.4 |
| 7 (CH2) | 39.4 |
| 8 (C) | 149.2 |
| 9 (CH) | 53.9 |
| 10 (C) | 40.3 |
| 11 (CH2) | 30.3 |
| 12 (CH) | 71 |
| 13 (CH) | 53.8 |
| 14 (CH) | 73.6 |
| 15 (CH2) | 76.5 |
| 16 (C) | 178.4 |
| 17 (CH2) | 107.9 |
| 18 (CH3) | 23.4 |
| 19 (CH2) | 65 |
| 20 (CH3) | 15.7 |
