Spektraris NMR
Picropolygamain
Common Name: Picropolygamain
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H16O6/c21-20-19-12(7-22-20)3-11-5-16-17(26-9-25-16)6-13(11)18(19)10-1-2-14-15(4-10)24-8-23-14/h1-2,4-6,12,18-19H,3,7-9H2/t12-,18+,19+/m0/s1
InChIKey: InChIKey=SCTKDFCQZSBHEE-GESALYCCSA-N
Formula: C20H16O6
Molecular Weight: 352.3382
Exact Mass: 352.094688
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) | 128.2 |
| 2 (C) | 130.1 |
| 3 (CH) | 109.9 |
| 4 (C) | 146.9 |
| 5 (C) | 146.8 |
| 6 (CH) | 108.9 |
| 7 (CH2) | 32.1 |
| 8 (CH) | 32.9 |
| 9 (CH2) | 72.8 |
| 1' (C) | 136.3 |
| 2' (CH) | 108.2 |
| 3' (C) | 148.1 |
| 4' (C) | 146.3 |
| 5' (CH) | 108.3 |
| 6' (CH) | 120.7 |
| 7' (CH) | 44.8 |
| 8' (CH) | 46.2 |
| 9' (C) | 178.3 |
| 4a (CH2) | 101 |
| 3'a (CH2) | 101.1 |
