Spektraris NMR
5-Methoxytrachelogenin diacetate
Common Name: 5-Methoxytrachelogenin diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O10/c1-15(27)35-24-22(32-5)11-18(12-23(24)33-6)13-26(36-16(2)28)19(14-34-25(26)29)9-17-7-8-20(30-3)21(10-17)31-4/h7-8,10-12,19H,9,13-14H2,1-6H3/t19-,26-/m0/s1
InChIKey: InChIKey=CVLHUCLJJUHFBD-SIBVEZHUSA-N
Formula: C26H30O10
Molecular Weight: 502.511405
Exact Mass: 502.183897
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 : 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) | 130.2 |
| 2 (CH) | 111.6 |
| 3 (C) | 147.8 |
| 4 (C) | 148.9 |
| 5 (CH) | 111.2 |
| 6 (CH) | 120.3 |
| 7 (CH2) | 33.3 |
| 8 (CH) | 42.4 |
| 9 (CH2) | 71.6 |
| 1' (C) | 132 |
| 2' (CH) | 107.1 |
| 3' (C) | 152 |
| 4' (C) | 128.1 |
| 5' (C) | 152 |
| 6' (CH) | 107.1 |
| 7' (CH2) | 43.5 |
| 8' (C) | 80.2 |
| 9' (C) | 174.8 |
| 3a (CH3) | 55.8 |
| 4a (CH3) | 55.8 |
| 3'a (CH3) | 56.1 |
| 4'a (C) | 168.5 |
| 4'b (CH3) | 20.5 |
| 5'a (CH3) | 56.1 |
| 8'a (C) | 170.2 |
| 8'b (CH3) | 20.4 |
