Spektraris NMR
Glochinin A
Common Name: Glochinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-20(2)14-9-16(22)18(25-4)8-12(14)13(10-26-20)19(23)11-5-6-15(21)17(7-11)24-3/h5-9,13,21-22H,10H2,1-4H3/t13-/m1/s1
InChIKey: InChIKey=VXHNARHHEYGPIT-CYBMUJFWSA-N
Formula: C20H22O6
Molecular Weight: 358.385844
Exact Mass: 358.141638
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, M., Xiao, H.T., He, H.P., Hao, X.Y. Chem Nat Compd (2008) 44, 588-90
Species:
Notes: Family : Lignans, Type : Neolignans; 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) | 129.2 |
| 2 (CH) | 112.2 |
| 3 (C) | 148.9 |
| 4 (C) | 153.6 |
| 5 (CH) | 116.2 |
| 6 (CH) | 124.5 |
| 7 (C) | 198.4 |
| 8 (CH) | 47.3 |
| 9 (CH2) | 63.5 |
| 1' (C) | 137 |
| 2' (C) | 123.6 |
| 3' (CH) | 112.7 |
| 4' (C) | 147.5 |
| 5' (C) | 147.3 |
| 6' (CH) | 113.7 |
| 7' (C) | 75.2 |
| 8' (CH3) | 29.3 |
| 9' (CH3) | 30.6 |
| 3a (CH3) | 55.9 |
| 4'a (CH3) | 55.8 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.