Spektraris NMR
Isoandrographolide
Common Name: Isoandrographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-18-7-5-16(22)19(2,11-21)14(18)4-8-20(3)15(18)10-13(25-20)12-6-9-24-17(12)23/h6,13-16,21-22H,4-5,7-11H2,1-3H3/t13-,14-,15-,16+,18+,19-,20+/m0/s1
InChIKey: InChIKey=QTYVPMSAPQBXMM-PWSXLVATSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pramanick, S., Banerjee, S., Achari, B., Das, B., Sen, A.K., Sr., Mukhopadhyay, S., Neuman, A., Prange, T. J Nat Prod (2006) 69, 403-5
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) | 36.6 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 81.2 |
| 4 (C) | 42.9 |
| 5 (CH) | 53.1 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 39.4 |
| 8 (C) | 83.1 |
| 9 (CH) | 58.4 |
| 10 (C) | 36 |
| 11 (CH2) | 33.3 |
| 12 (CH) | 73.5 |
| 13 (C) | 138.8 |
| 14 (CH) | 143.7 |
| 15 (CH2) | 71 |
| 16 (C) | 173.1 |
| 17 (CH3) | 32 |
| 18 (CH3) | 23.2 |
| 19 (CH2) | 64.6 |
| 20 (CH3) | 16.8 |
