Spektraris NMR
Gliricidin
Common Name: Gliricidin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H30O8/c1-37-23-7-9-26-30(15-23)40-17-31-33(26,36)32(24-8-6-22(35)14-29(24)41-31)25-12-18(4-10-27(25)38-2)20-11-19-3-5-21(34)13-28(19)39-16-20/h3-10,12-15,20,31-32,34-36H,11,16-17H2,1-2H3/t20-,31-,32?,33-/m1/s1
InChIKey: InChIKey=AAYNXSSLTTZFMB-ZXTLFELNSA-N
Formula: C33H30O8
Molecular Weight: 554.587747
Exact Mass: 554.194068
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Rastrelli, L., Berger, I.I., Kubelka, W., Caceres, A., De Tommasi, N., De Simone, F. J Nat Prod (1999) 62, 188-90
Species:
Notes: Family : Flavonoids, Type : Rotenoids; 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 (CH) | 128.6 |
| 1a (C) | 121.6 |
| 2 (CH) | 107.4 |
| 3 (C) | 160.6 |
| 4 (CH) | 97.3 |
| 4a (C) | 146.4 |
| 6 (CH2) | 67.3 |
| 6a (CH) | 79.9 |
| 7a (C) | 157.8 |
| 8 (CH) | 103.9 |
| 9 (C) | 157.3 |
| 10 (CH) | 110.5 |
| 11 (CH) | 133 |
| 11a (C) | 112.6 |
| 12 (CH) | 40.7 |
| 12a (C) | 63.7 |
| 2' (CH2) | 70.9 |
| 3' (CH) | 32.9 |
| 4' (CH2) | 31.2 |
| 5' (CH) | 131 |
| 6' (CH) | 108.8 |
| 7' (C) | 156.2 |
| 8' (CH) | 103.6 |
| 9' (C) | 157 |
| 10' (C) | 114.6 |
| 1'' (C) | 120.6 |
| 2'' (CH) | 105.5 |
| 3'' (C) | 121.7 |
| 4'' (C) | 160.8 |
| 5'' (CH) | 102.2 |
| 6'' (CH) | 125.8 |
| 3a (CH3) | 55.4 |
| 4''a (CH3) | 55.7 |
