Spektraris NMR
14-deoxy-11,12-didehydroandrographi-side
Common Name: 14-deoxy-11,12-didehydroandrographi-side
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h5-6,9,16-22,24,27-31H,1,4,7-8,10-13H2,2-3H3/b6-5+/t16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1
InChIKey: InChIKey=MWGVWTQBNFFGTG-XCMZMCRNSA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
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) | 39.3 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 79.2 |
| 4 (C) | 43.3 |
| 5 (CH) | 55 |
| 6 (CH2) | 24.6 |
| 7 (CH2) | 37.2 |
| 8 (C) | 149.6 |
| 9 (CH) | 61.9 |
| 10 (C) | 39.3 |
| 11 (CH) | 135.9 |
| 12 (CH) | 121.8 |
| 13 (C) | 128.8 |
| 14 (CH) | 145 |
| 15 (CH2) | 70.3 |
| 16 (C) | 172.8 |
| 17 (CH2) | 108.5 |
| 18 (CH3) | 24.4 |
| 19 (CH2) | 72.3 |
| 20 (CH3) | 15.5 |
| 1' (CH) | 105.5 |
| 2' (CH) | 74.9 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.6 |
| 6' (CH2) | 62.6 |
