Spektraris NMR
Lanceoline triacetate
Common Name: Lanceoline triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O9/c1-13(27)33-21-7-6-16(8-22(21)30-4)25-17-9-24(34-14(2)28)23(31-5)10-18(17)26(35-15(3)29)20-12-32-11-19(20)25/h6-10,19-20,25-26H,11-12H2,1-5H3/t19-,20+,25-,26+/m0/s1
InChIKey: InChIKey=VJERPUFNZZFMSD-PMWPQBSLSA-N
Formula: C26H28O9
Molecular Weight: 484.496119
Exact Mass: 484.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, T.H., Yeh, M.H., Chang, C.I., Lee, C.K., Shao, Y.Y., Kuo, Y.H. Biosci Biotechnol Biochem (2007) 71, 2075-8
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) | 127.1 |
| 2 (C) | 138.2 |
| 3 (CH) | 125.4 |
| 4 (C) | 139.7 |
| 5 (C) | 150 |
| 6 (CH) | 111.3 |
| 7 (CH) | 77.9 |
| 8 (CH) | 45 |
| 9 (CH2) | 70.9 |
| 1' (C) | 143.1 |
| 2' (CH) | 112.7 |
| 3' (C) | 150.9 |
| 4' (C) | 138.2 |
| 5' (CH) | 122.6 |
| 6' (CH) | 120.8 |
| 7' (CH) | 52.1 |
| 8' (CH) | 40.8 |
| 9' (CH2) | 63.6 |
| 4a (C) | 169.1 |
| 4b (CH3) | 20.6 |
| 5a (CH3) | 55.9 |
| 7a (C) | 168.9 |
| 7b (CH3) | 20.6 |
| 3'a (CH3) | 55.9 |
| 4'a (C) | 170.9 |
| 4'b (CH3) | 20.6 |
