Spektraris NMR
9-Acetoxyisolariciresinol
Common Name: 9-Acetoxyisolariciresinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O7/c1-12(24)29-11-17-15(10-23)6-14-8-21(28-3)19(26)9-16(14)22(17)13-4-5-18(25)20(7-13)27-2/h4-5,7-9,15,17,22-23,25-26H,6,10-11H2,1-3H3/t15-,17-,22-/m0/s1
InChIKey: InChIKey=NNPZYXYQUHFQST-YHEJKZAPSA-N
Formula: C22H26O7
Molecular Weight: 402.438484
Exact Mass: 402.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pullela, S.V., Takamatsu, S., Khan, S.I., Khan, I.A. Planta Med (2005) 71, 789-91
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) | 136.78 |
| 2 (C) | 122.46 |
| 3 (CH) | 114.59 |
| 4 (C) | 144.58 |
| 5 (C) | 146.92 |
| 6 (CH) | 111.59 |
| 7 (CH2) | 47.14 |
| 8 (CH) | 47.77 |
| 9 (CH2) | 67.48 |
| 1' (C) | 127.21 |
| 2' (CH) | 110.43 |
| 3' (C) | 145.19 |
| 4' (C) | 143.92 |
| 5' (CH) | 115.67 |
| 6' (CH) | 133.17 |
| 7' (CH) | 33.22 |
| 8' (CH) | 43.21 |
| 9' (CH2) | 61.65 |
| 5a (CH3) | 56.17 |
| 3'a (CH3) | 56.14 |
| 9'a (C) | 171.39 |
| 9'b (CH3) | 21.18 |
