Spektraris NMR
Gliricidol
Common Name: Gliricidol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H14O6/c1-21-10-3-5-12-14(7-10)22-8-15-17(12,20)16(19)11-4-2-9(18)6-13(11)23-15/h2-7,15,18,20H,8H2,1H3/t15-,17-/m1/s1
InChIKey: InChIKey=CLKLDTHVJNABQP-NVXWUHKLSA-N
Formula: C17H14O6
Molecular Weight: 314.29011
Exact Mass: 314.079038
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) | 121.6 |
| 1a (C) | 128.6 |
| 2 (CH) | 107.6 |
| 3 (C) | 158.2 |
| 4 (CH) | 97.3 |
| 4a (C) | 146.6 |
| 6 (CH2) | 67.3 |
| 6a (CH) | 77.1 |
| 7a (C) | 157.8 |
| 8 (CH) | 103.9 |
| 9 (C) | 157.4 |
| 10 (CH) | 110.5 |
| 11 (CH) | 128.2 |
| 11a (C) | 103.6 |
| 12 (C) | 195.5 |
| 12a (C) | 67.7 |
| 3a (CH3) | 56 |
