Spektraris NMR
Isoschininallylol
Common Name: Isoschininallylol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O5/c1-13(2)16(21)7-5-14(3)9-10-24-19-12-17-15(11-18(19)23-4)6-8-20(22)25-17/h6,8-9,11-12,16,21H,1,5,7,10H2,2-4H3/b14-9+/t16-/m0/s1
InChIKey: InChIKey=XBYZRXVQYHWAFL-IDJPSDCMSA-N
Formula: C20H24O5
Molecular Weight: 344.402321
Exact Mass: 344.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, G.H., Kim, J.A., Kim, S.Y., Ryu, J.C., Kim, Y.S., Jung, S.H., Kim, M.K., Lee, S.H. Chem Pharm Bull (2008) 56, 839-42
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 |
|---|---|
| 2 (C) | 161.5 |
| 3 (CH) | 113.3 |
| 4 (CH) | 143.3 |
| 5 (CH) | 107.9 |
| 6 (C) | 146.6 |
| 7 (C) | 151.9 |
| 8 (CH) | 101.1 |
| 9 (C) | 149.8 |
| 10 (C) | 111.3 |
| 6a (CH3) | 56.3 |
| 7a (CH2) | 66.19 |
| 7b (CH) | 118.6 |
| 7c (C) | 141.8 |
| 7d (CH2) | 35.4 |
| 7e (CH2) | 32.62 |
| 7f (CH) | 75.37 |
| 7g (C) | 147.2 |
| 7h (CH2) | 111.2 |
| 7ca (CH3) | 17 |
| 7ga (CH3) | 17.52 |
