Spektraris NMR
Excisanins J
Common Name: Excisanins J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-11-12-4-5-13-19(10-22)7-3-6-18(2,9-21)14(19)8-15(23)20(13,16(11)24)17(12)25/h12-15,17,21-23,25H,1,3-10H2,2H3/t12-,13-,14+,15+,17+,18+,19+,20-/m0/s1
InChIKey: InChIKey=WXQUCBGDXVGUBN-IIRAHQKESA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gui, M.Y., Aoyagi, Y., Jin, Y.R., Li, X.W., Hasuda, T., Takeya, K. J Nat Prod (2004) 67, 373-6
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 (CH2) | 34.9 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 30.9 |
| 4 (C) | 37.8 |
| 5 (CH) | 46.9 |
| 6 (CH2) | 29.6 |
| 7 (CH) | 74.8 |
| 8 (C) | 62 |
| 9 (CH) | 55.5 |
| 10 (C) | 43.2 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 35.6 |
| 13 (CH) | 47.5 |
| 14 (CH) | 76.7 |
| 15 (C) | 208.9 |
| 16 (C) | 150.7 |
| 17 (CH2) | 115.5 |
| 18 (CH2) | 71.3 |
| 19 (CH3) | 18.6 |
| 20 (CH2) | 60.8 |
