Spektraris NMR
Lactucin-8-O-p-methoxyphenyl acetate
Common Name: Lactucin-8-O-p-methoxyphenyl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H24O7/c1-12-8-18(30-19(27)9-14-4-6-16(29-3)7-5-14)21-13(2)24(28)31-23(21)22-15(11-25)10-17(26)20(12)22/h4-7,10,18,21-23,25H,2,8-9,11H2,1,3H3/t18-,21+,22-,23-/m0/s1
InChIKey: InChIKey=XOSKEJNNRKYHCC-AWDZXFJFSA-N
Formula: C24H24O7
Molecular Weight: 424.444074
Exact Mass: 424.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.X., Lin, C.J., Jia, Z.J. Planta Med (2006) 72, 764-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 132.9 |
| 2 (C) | 194.6 |
| 3 (CH) | 133.7 |
| 4 (C) | 172 |
| 5 (CH) | 48.5 |
| 6 (CH) | 80.9 |
| 7 (CH) | 54.8 |
| 8 (CH) | 69.7 |
| 9 (CH2) | 44.4 |
| 10 (C) | 146.2 |
| 11 (C) | 135.7 |
| 12 (C) | 168.3 |
| 13 (CH2) | 122.6 |
| 14 (CH3) | 21.5 |
| 15 (CH2) | 62.5 |
| 8a (C) | 170.7 |
| 8b (CH2) | 40.8 |
| 8c (C) | 125 |
| 8d (CH) | 130.5 |
| 8e (CH) | 114.5 |
| 8f (C) | 159.2 |
| 8g (CH) | 114.5 |
| 8h (CH) | 130.5 |
| 8fa (CH3) | 55.5 |
