Spektraris NMR
Anisocoumarin I
Common Name: Anisocoumarin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O7/c1-11-8-13(25-19(11)22)9-20(2)15(27-20)10-24-14-6-4-12-5-7-16(21)26-17(12)18(14)23-3/h4-7,11,13,15H,8-10H2,1-3H3
InChIKey: InChIKey=NMUNRSJTWXAARD-UHFFFAOYSA-N
Formula: C20H22O7
Molecular Weight: 374.385249
Exact Mass: 374.136553
NMR Solvent: CDCl3
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) | 68.1 |
| 2 (CH) | 61 |
| 3 (C) | 58.1 |
| 4 (CH2) | 37.5 |
| 5 (CH) | 75.1 |
| 6 (CH2) | 44.3 |
| 7 (CH) | 35.3 |
| 8 (C) | 178.9 |
| 9 (CH3) | 14.7 |
| 10 (CH3) | 16.8 |
| 2' (C) | 160.3 |
| 3' (CH) | 113.4 |
| 4' (CH) | 143.5 |
| 5' (CH) | 122.7 |
| 6' (CH) | 114 |
| 7' (C) | 110.1 |
| 8' (C) | 154.2 |
| 9' (C) | 136.3 |
| 10' (C) | 147.9 |
| 8'a (CH3) | 61.2 |
