Spektraris NMR
Sesquilignans
Common Name: Sesquilignans
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O9/c1-35-25-11-16(4-6-23(25)32)9-20-19(15-38-30(20)34)8-17-10-21-22(14-31)28(39-29(21)27(12-17)37-3)18-5-7-24(33)26(13-18)36-2/h4-7,10-13,19-20,22,28,31-33H,8-9,14-15H2,1-3H3/t19-,20+,22-,28+/m0/s1
InChIKey: InChIKey=PYLYQTVVQXPBIJ-OUZJQUPYSA-N
Formula: C30H32O9
Molecular Weight: 536.570825
Exact Mass: 536.204633
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) | 129.5 |
| 2 (CH) | 111.8 |
| 3 (C) | 146.7 |
| 4 (C) | 144.2 |
| 5 (CH) | 114.3 |
| 6 (CH) | 122.1 |
| 7 (CH2) | 34.5 |
| 8 (CH) | 46.5 |
| 9 (C) | 178.7 |
| 1' (C) | 128.5 |
| 2' (CH) | 113 |
| 3' (C) | 147 |
| 4' (C) | 145.6 |
| 5' (C) | 133 |
| 6' (CH) | 116.5 |
| 7' (CH2) | 38.2 |
| 8' (CH) | 41 |
| 9' (CH2) | 71.2 |
| 1'' (C) | 131.2 |
| 2'' (CH) | 108.8 |
| 3'' (C) | 146.7 |
| 4'' (C) | 144.6 |
| 5'' (CH) | 114.4 |
| 6'' (CH) | 119.1 |
| 7'' (CH) | 87.8 |
| 8'' (CH) | 53.6 |
| 9'' (CH2) | 64 |
| 3a (CH3) | 55.9 |
| 3'a (CH3) | 55.9 |
| 3''a (CH3) | 56.1 |
