Spektraris NMR
Monocillin II
Common Name: Monocillin II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H20O4/c1-13-8-5-3-2-4-6-10-15(19)12-14-9-7-11-16(20)17(14)18(21)22-13/h3,5-7,9-11,13,20H,2,4,8,12H2,1H3/b5-3+,10-6+/t13-/m0/s1
InChIKey: InChIKey=LSIFWWADIGESKN-UIWFPMPVSA-N
Formula: C18H20O4
Molecular Weight: 300.349681
Exact Mass: 300.136159
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Hellwig V., Mayer-Bartschmid A., Muller H., Greif G., Kleymann G., Zitzmann W., Tichy H.V., Stadler M. J Nat Prod (2003) 66, 829-37
Species:
Notes: Family : Aromatics, Type : Benzenes; 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 (CH3) | 19.24 |
| 2 (CH) | 71.08 |
| 3 (CH2) | 37.65 |
| 4 (CH) | 128.36 |
| 5 (CH) | 131.65 |
| 6 (CH2) | 30.28 |
| 7 (CH2) | 30.41 |
| 8 (CH) | 148.39 |
| 9 (CH) | 130.03 |
| 10 (C) | 196.51 |
| 11 (CH2) | 45.81 |
| 12 (C) | 136.72 |
| 13 (CH) | 108.66 |
| 14 (CH) | 159.93 |
| 15 (CH) | 101.57 |
| 16 (C) | 159.21 |
| 17 (C) | 110.7 |
| 18 (C) | 168.32 |
