Spektraris NMR
Sesquilignans
Common Name: Sesquilignans
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O10/c1-36-25-12-18(4-7-22(25)32)11-21-20(16-39-30(21)35)10-17-5-9-24(27(13-17)38-3)40-28(15-31)29(34)19-6-8-23(33)26(14-19)37-2/h4-9,12-14,20-21,28-29,31-34H,10-11,15-16H2,1-3H3/t20-,21+,28?,29?/m0/s1
InChIKey: InChIKey=ASYBYLYCBSRGRZ-KWCNVUSUSA-N
Formula: C30H34O10
Molecular Weight: 554.586112
Exact Mass: 554.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Umehara, K., Sugawa, A., Kuroyanagi, M., Ueno, A., Taki, T. Chem Pharm Bull (1993) 41, 1774-9
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) | 129.4 |
| 2 (CH) | 111.6 |
| 3 (C) | 146.7 |
| 4 (C) | 144.6 |
| 5 (CH) | 114.3 |
| 6 (CH) | 122 |
| 7 (CH2) | 34.6 |
| 8 (CH) | 46.6 |
| 9 (C) | 178.6 |
| 1' (C) | 133.9 |
| 2' (CH) | 112.4 |
| 3' (C) | 151 |
| 4' (C) | 146.4 |
| 5' (CH) | 120.6 |
| 6' (CH) | 121.4 |
| 7' (CH2) | 38.3 |
| 8' (CH) | 40.9 |
| 9' (CH2) | 71.2 |
| 1''' (C) | 131.4 |
| 2''' (CH) | 109.4 |
| 3''' (C) | 146.8 |
| 4''' (C) | 145.6 |
| 5''' (CH) | 114.3 |
| 6''' (CH) | 120.1 |
| 7''' (CH) | 74 |
| 8''' (CH) | 89.1 |
| 9''' (CH2) | 61.1 |
| 3a (CH3) | 55.8 |
| 3'a (CH3) | 55.9 |
| 3'''a (CH3) | 55.9 |
