Spektraris NMR
Potamogetonol
Common Name: Potamogetonol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-16-5-8-20-21(3,15-26-17(2)24)10-4-11-22(20,14-23)19(16)7-6-18-9-12-25-13-18/h9,12-13,19-20,23H,1,4-8,10-11,14-15H2,2-3H3/t19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=IVFPNVDGWGXPMZ-YUMYIRISSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kittakoop, P., Wanasith, S., Watts, P., Kramyu, J., Tanticharoen, M., Thebtaranonth, Y. J Nat Prod (2001) 64, 385-8
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) | 33.5 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 36.1 |
| 4 (C) | 37.2 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 38.2 |
| 8 (C) | 149.8 |
| 9 (CH) | 55.5 |
| 10 (C) | 43.9 |
| 11 (CH2) | 25.1 |
| 12 (CH2) | 23.8 |
| 13 (C) | 125 |
| 14 (CH) | 110.8 |
| 15 (CH) | 42.6 |
| 16 (CH) | 138.7 |
| 17 (CH2) | 106.8 |
| 18 (CH3) | 27.7 |
| 19 (CH2) | 66.7 |
| 20 (CH2) | 63.8 |
| 19a (C) | 171.2 |
| 19b (CH3) | 20.9 |
