Spektraris NMR
(7'R,8'S,8S)-2'-Acetoxy-3,4:4',5'-bis(methylenedioxy)-7-oxo-2,7'-cyclolignan
Common Name: (7'R,8'S,8S)-2'-Acetoxy-3,4:4',5'-bis(methylenedioxy)-7-oxo-2,7'-cyclolignan
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H20O7/c1-10-11(2)21(24)13-4-5-15-22(28-9-25-15)20(13)19(10)14-6-17-18(27-8-26-17)7-16(14)29-12(3)23/h4-7,10-11,19H,8-9H2,1-3H3/t10-,11-,19-/m0/s1
InChIKey: InChIKey=KTNMGQUEYYNPAX-ADWYPQAOSA-N
Formula: C22H20O7
Molecular Weight: 396.390839
Exact Mass: 396.120903
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Rezende K.R., Kato M.J. Phytochemistry (2002) 61, 427-32
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) | 128.7 |
| 3 (C) | 143.9 |
| 4 (C) | 152.7 |
| 5 (CH) | 107.8 |
| 6 (CH) | 123 |
| 7 (C) | 198.6 |
| 8 (CH) | 48.1 |
| 9 (CH3) | 12.5 |
| 1' (C) | 127.1 |
| 2' (C) | 145.9 |
| 3' (CH) | 105.3 |
| 4' (C) | 145.8 |
| 5' (C) | 147.1 |
| 6' (CH) | 113.2 |
| 7' (CH) | 42.4 |
| 8' (CH) | 42.4 |
| 9' (CH3) | 14.3 |
| 3a (CH2) | 102.6 |
| 2'a (C) | 169.2 |
| 2'b (CH3) | 20.5 |
| 4'a (CH2) | 102.7 |
