Spektraris NMR
5-Methoxywikstromol triacetate
Common Name: 5-Methoxywikstromol triacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O11/c1-15(28)36-21-8-7-18(10-22(21)32-4)9-20-14-35-26(31)27(20,38-17(3)30)13-19-11-23(33-5)25(37-16(2)29)24(12-19)34-6/h7-8,10-12,20H,9,13-14H2,1-6H3/t20-,27-/m0/s1
InChIKey: InChIKey=NLGFAMMBGBWNKW-DCFHFQCYSA-N
Formula: C27H30O11
Molecular Weight: 530.521546
Exact Mass: 530.178812
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) | 136.7 |
| 2 (CH) | 112.6 |
| 3 (C) | 151.1 |
| 4 (C) | 138.5 |
| 5 (CH) | 122.9 |
| 6 (CH) | 120.3 |
| 7 (CH2) | 33.7 |
| 8 (CH) | 42.2 |
| 9 (CH2) | 71.7 |
| 1' (C) | 132 |
| 2' (CH) | 107.1 |
| 3' (C) | 152 |
| 4' (C) | 128.2 |
| 5' (C) | 152 |
| 6' (CH) | 107.1 |
| 7' (CH2) | 43.6 |
| 8' (C) | 80.1 |
| 9' (C) | 174.7 |
| 3a (CH3) | 55.8 |
| 4a (C) | 168.5 |
| 4b (CH3) | 20.4 |
| 3'a (CH3) | 55.8 |
| 4'a (C) | 168.9 |
| 4'b (CH3) | 20.6 |
| 5'a (CH3) | 56.1 |
| 8'a (C) | 170.2 |
| 8'b (CH3) | 20.5 |
