Spektraris NMR
Nemerosin
Common Name: Nemerosin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7+/t15-/m0/s1
InChIKey: InChIKey=CJLVKDPRUXBTJQ-PLWLOYALSA-N
Formula: C22H22O7
Molecular Weight: 398.406721
Exact Mass: 398.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jeong, G.S., Kwon, O.K., Park, B.Y., Oh, S.R., Ahn, K.S., Chang, M.J., Oh, W.K., Kim, J.C., Min, B.S., Kim, Y.C., Lee, H.K. Biol Pharm Bull (2007) 30, 1340-3
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 131.7 |
| 2 (CH) | 109.4 |
| 3 (C) | 147 |
| 4 (C) | 148.4 |
| 5 (CH) | 108.8 |
| 6 (CH) | 122.3 |
| 7 (CH2) | 38.2 |
| 8 (CH) | 39.9 |
| 9 (CH2) | 70.1 |
| 1' (C) | 129.8 |
| 2' (CH) | 107.9 |
| 3' (C) | 153.8 |
| 4' (C) | 140.4 |
| 5' (C) | 153.8 |
| 6' (CH) | 107.9 |
| 7' (CH) | 138.1 |
| 8' (C) | 127.5 |
| 9' (C) | 172.7 |
| 3a (CH2) | 101.5 |
| 3'a (CH3) | 56.7 |
| 4'a (CH3) | 61.4 |
| 5'a (CH3) | 56.7 |
