Spektraris NMR
Pseudocordatolide C
Common Name: Pseudocordatolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-9-8-13(21)24-17-12-6-7-20(4,5)25-18(12)15-16(22)10(2)11(3)23-19(15)14(9)17/h6-8,10-11,16,22H,1-5H3/t10-,11+,16-/m1/s1
InChIKey: InChIKey=AAPFBQWCKBJQGL-OHUAYANFSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - McKee, T.C., Fuller, R.W., Covington, C.D., Cardellina, J.H., Gulakowski, R.J., Krepps, B.L., McMahon, J.B., Boyd, M.R. J Nat Prod (1996) 59, 754-8
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Methylcoumarins; 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) | 160.4 |
| 3 (CH) | 111.2 |
| 4 (C) | 154.6 |
| 5 (C) | 152.8 |
| 6 (C) | 108.9 |
| 7 (C) | 154.6 |
| 8 (C) | 113.8 |
| 9 (C) | 150.2 |
| 10 (C) | 104 |
| 1' (CH3) | 24.2 |
| 6a (CH) | 64.6 |
| 6b (CH) | 34.8 |
| 6c (CH) | 75.2 |
| 6d (CH3) | 7.3 |
| 6e (CH3) | 16.2 |
| 8a (CH) | 115.6 |
| 8b (CH) | 126.7 |
| 8c (C) | 78.7 |
| 8d (CH3) | 28.2 |
| 8e (CH3) | 27.7 |
