Spektraris NMR
Burseranin
Common Name: Burseranin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O7/c1-23-19-13-4-11-7-24-21(22)18(11)17(12(13)6-16-20(19)28-9-27-16)10-2-3-14-15(5-10)26-8-25-14/h2-3,5-6,11,17-18H,4,7-9H2,1H3/t11-,17+,18+/m0/s1
InChIKey: InChIKey=CCJWJASNEQOVDI-UZCIPKQKSA-N
Formula: C21H18O7
Molecular Weight: 382.364222
Exact Mass: 382.105253
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Nakanishi, T., Inatomi, Y., Murata, H., Shigeta, K., Iida, N., Inada, A., Murata, J., Farrera, M.A., Iinuma, M., Tanaka, T., Tajima, S., Oku, N. Chem Pharm Bull (2005) 53, 229-31
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 119.9 |
| 2 (C) | 131.5 |
| 3 (CH) | 104.2 |
| 4 (C) | 147.9 |
| 5 (C) | 135.4 |
| 6 (C) | 140.9 |
| 7 (CH2) | 24.2 |
| 8 (CH) | 32.3 |
| 9 (CH2) | 73.1 |
| 1' (C) | 136.4 |
| 2' (CH) | 108.2 |
| 3' (C) | 148 |
| 4' (C) | 146.3 |
| 5' (CH) | 108.2 |
| 6' (CH) | 120.7 |
| 7' (CH) | 44.8 |
| 8' (CH) | 46.1 |
| 9' (C) | 178.3 |
| 4a (CH2) | 100.8 |
| 6a (CH3) | 59.7 |
| 3'a (CH2) | 101.1 |
