Spektraris NMR
Anisocoumarin J
Common Name: Anisocoumarin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O8/c1-11-8-13(27-19(11)23)9-20(2,24)15(21)10-26-14-6-4-12-5-7-16(22)28-17(12)18(14)25-3/h4-7,11,13,15,21,24H,8-10H2,1-3H3
InChIKey: InChIKey=LOKPFXLWIVEMDS-UHFFFAOYSA-N
Formula: C20H24O8
Molecular Weight: 392.400535
Exact Mass: 392.147118
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ngadjui, B.T., Mouncherou, S.M., Ayafor, J.F., Sondengam, B.L., Tillequin, F. Phytochemistry (1991) 30, 2809-11
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Dimethyloctanes; 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) | 71.7 |
| 2 (CH) | 75 |
| 3 (C) | 72.9 |
| 4 (CH2) | 37.2 |
| 5 (CH) | 75.6 |
| 6 (CH2) | 45.3 |
| 7 (CH) | 35.8 |
| 8 (C) | 179.2 |
| 9 (CH3) | 14.8 |
| 10 (CH3) | 10.2 |
| 2' (C) | 160.3 |
| 3' (CH) | 113.5 |
| 4' (CH) | 144.5 |
| 5' (CH) | 123.8 |
| 6' (CH) | 114.3 |
| 7' (C) | 110.6 |
| 8' (C) | 155.9 |
| 9' (C) | 136.7 |
| 10' (C) | 148.6 |
| 8'a (CH3) | 61.1 |
