Spektraris NMR
Neoandrographolide
Common Name: Neoandrographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1
InChIKey: InChIKey=YGCYRQKJYWQXHG-RDNQFMDVSA-N
Formula: C26H40O8
Molecular Weight: 480.592003
Exact Mass: 480.272318
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cangiano T., DellaGreca M., Fiorentino A., Isidori M., Monaco P., Zarrelli A. Phytochemistry (2001) 56, 469-73
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) | 40.1 |
| 2 (CH2) | 20.3 |
| 3 (CH2) | 34.4 |
| 4 (C) | 40.8 |
| 5 (CH) | 57.9 |
| 6 (CH2) | 24.7 |
| 7 (CH2) | 36.8 |
| 8 (C) | 149.6 |
| 9 (CH) | 57.9 |
| 10 (C) | 40.3 |
| 11 (CH2) | 20.3 |
| 12 (CH2) | 25.8 |
| 13 (C) | 135.2 |
| 14 (CH) | 140.8 |
| 15 (CH2) | 69.4 |
| 16 (C) | 171 |
| 17 (CH2) | 107.6 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 65.1 |
| 20 (CH3) | 16.2 |
| 1' (CH) | 104.2 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.9 |
