Spektraris NMR
8,17-Epoxy-14-deoxyandrographolide
Common Name: 8,17-Epoxy-14-deoxyandrographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-18-8-6-16(22)19(2,11-21)14(18)5-9-20(12-25-20)15(18)4-3-13-7-10-24-17(13)23/h7,14-16,21-22H,3-6,8-12H2,1-2H3/t14-,15-,16+,18+,19-,20-/m0/s1
InChIKey: InChIKey=YQZCSRAURNLCEK-WZLKLWACSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 28.4 |
| 3 (CH) | 80.9 |
| 4 (C) | 43.6 |
| 5 (CH) | 56 |
| 6 (CH2) | 22.8 |
| 7 (CH2) | 37.6 |
| 8 (C) | 60 |
| 9 (CH) | 54.5 |
| 10 (C) | 41 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 27.8 |
| 13 (C) | 134.5 |
| 14 (CH) | 147.8 |
| 15 (CH2) | 72.1 |
| 16 (C) | 177 |
| 17 (CH2) | 51.4 |
| 18 (CH3) | 23.4 |
| 19 (CH2) | 64.9 |
| 20 (CH3) | 15.7 |
