Spektraris NMR
Rostellulin A
Common Name: Rostellulin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O9/c1-13(26)31-10-17-5-15-6-20-21(34-12-33-20)9-18(15)24(19(17)11-32-14(2)27)16-7-22(29-3)25(28)23(8-16)30-4/h6-9,17,19,24,28H,5,10-12H2,1-4H3/t17-,19-,24-/m0/s1
InChIKey: InChIKey=GLRUMQMKXILLFB-KDLAUNOPSA-N
Formula: C25H28O9
Molecular Weight: 472.485383
Exact Mass: 472.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Y., Bao, F., Hu, J., Liang, S., Du, G., Zhang, C., Cheng, Y. Planta Med (2007) 73, 1596-9
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) | 132.4 |
| 2 (C) | 128.6 |
| 3 (CH) | 109.3 |
| 4 (C) | 145.8 |
| 5 (C) | 146 |
| 6 (CH) | 107.9 |
| 7 (CH2) | 32.8 |
| 8 (CH) | 35.5 |
| 9 (CH2) | 66.5 |
| 1' (C) | 133.7 |
| 2' (CH) | 106 |
| 3' (C) | 147.2 |
| 4' (C) | 134.8 |
| 5' (C) | 147.2 |
| 6' (CH) | 106 |
| 7' (CH) | 48.2 |
| 8' (CH) | 43.5 |
| 9' (CH2) | 63.7 |
| 4a (CH2) | 100.6 |
| 9a (C) | 170.8 |
| 9b (CH3) | 20.8 |
| 3'a (CH3) | 56.4 |
| 5'a (CH3) | 56.4 |
| 9'a (C) | 170.9 |
| 9'b (CH3) | 20.8 |
