Spektraris NMR
Ilexlignan A
Common Name: Ilexlignan A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O11/c1-5-17(14-31)19(10-27(35)40-4)11-28(36)41-15-22-29(18-6-7-23(33)25(8-18)38-2)21-12-24(34)26(39-3)9-20(21)13-30(22,37)16-32/h5-9,12,14,19,22,28-29,32-34,36-37H,10-11,13,15-16H2,1-4H3/b17-5-/t19?,22-,28?,29+,30+/m1/s1
InChIKey: InChIKey=VXZZQYGNQNXOEI-NKGKTXBNSA-N
Formula: C30H38O11
Molecular Weight: 574.61728
Exact Mass: 574.241412
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhou, Y.B., Wang, J.H., Li, X.M., Li, X. Chin Chem Lett (2008) 19, 550-2
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) | 124.1 |
| 2 (C) | 132.4 |
| 3 (CH) | 115.2 |
| 4 (C) | 144.3 |
| 5 (C) | 145.8 |
| 6 (CH) | 111.9 |
| 7 (CH2) | 37.9 |
| 8 (C) | 75.4 |
| 9 (CH2) | 62.2 |
| 1' (C) | 135.8 |
| 2' (CH) | 113.1 |
| 3' (C) | 147.7 |
| 4' (C) | 145.1 |
| 5' (CH) | 115.6 |
| 6' (CH) | 121.7 |
| 7' (CH) | 44 |
| 8' (CH) | 38.9 |
| 9' (CH2) | 63.9 |
| 1'' (CH) | 93.9 |
| 2'' (CH2) | 36.9 |
| 3'' (CH) | 28.3 |
| 4'' (C) | 143.8 |
| 5'' (CH) | 153.2 |
| 6'' (CH3) | 14.6 |
| 7'' (CH2) | 37.1 |
| 8'' (C) | 172.2 |
| 9'' (CH) | 195.5 |
| 10'' (CH3) | 51.2 |
| 5a (CH3) | 55.7 |
| 3'a (CH3) | 55.7 |
