Spektraris NMR
bursephenylpropane
Common Name: bursephenylpropane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O9/c1-27-15-10-14(11-16(28-2)21(15)26)20(25)19(12-24)31-22-17(29-3)8-13(6-5-7-23)9-18(22)30-4/h8-11,19-20,23-26H,5-7,12H2,1-4H3/t19-,20-/m1/s1
InChIKey: InChIKey=MFTGHHCPUVBWFW-WOJBJXKFSA-N
Formula: C22H30O9
Molecular Weight: 438.469057
Exact Mass: 438.188983
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jutiviboonsuk, A., Zhang, H., Tan, G.T., Ma, C., Van Hung, N., Manh Cuong, N., Bunyapraphatsara, N., Soejarto, D.D., Fong, H.H. Phytochemistry (2005) 66, 2745-51
Species:
Notes: Family : Lignans, Type : Neolignans, Group : Oxyneolignans; 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) | 133.7 |
| 2 (CH) | 111.4 |
| 3 (C) | 148.7 |
| 4 (C) | 146.8 |
| 5 (C) | 115.7 |
| 6 (CH) | 120.6 |
| 7 (CH) | 62.2 |
| 8 (CH) | 84.8 |
| 9 (CH2) | 62.2 |
| 1' (C) | 140 |
| 2' (CH) | 106.8 |
| 3' (C) | 154.4 |
| 4' (C) | 135 |
| 5' (C) | 154.4 |
| 6' (CH) | 106.8 |
| 7' (CH2) | 33.4 |
| 8' (CH2) | 35.5 |
| 9' (CH2) | 62.2 |
| 3a (CH3) | 56.3 |
| 5a (CH3) | 56.3 |
| 3'a (CH3) | 56.6 |
| 5'a (CH3) | 56.6 |
