Spektraris NMR
Nodosin
Common Name: Nodosin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13-,14?,16-,19+,20+/m1/s1
InChIKey: InChIKey=WZYJEEIAFBHYJS-SNEMUEIISA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Hu, H.P., Wang, H.P., Wang, S.Q., Ueda, S., Fujita, T. Phytochemistry (1994) 37, 1367-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 78.4 |
| 2 (CH2) | 24 |
| 3 (CH2) | 37.4 |
| 4 (C) | 31.5 |
| 5 (CH) | 55.6 |
| 6 (CH) | 101.9 |
| 7 (C) | 172 |
| 8 (C) | 56.5 |
| 9 (CH) | 48.5 |
| 10 (C) | 49.9 |
| 11 (CH) | 65.9 |
| 12 (CH2) | 41.3 |
| 13 (CH) | 35.4 |
| 14 (CH2) | 34.1 |
| 15 (C) | 200.9 |
| 16 (C) | 151 |
| 17 (CH2) | 117 |
| 18 (CH3) | 33 |
| 19 (CH3) | 23 |
| 20 (CH2) | 73.9 |
