Spektraris NMR
Isorecedensolide
Common Name: Isorecedensolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O5/c1-6-7-14-10-16(23)27-21-15(9-8-11(2)3)20(25)18-19(24)12(4)13(5)26-22(18)17(14)21/h8,10,12-13,25H,6-7,9H2,1-5H3/t12-,13+/m0/s1
InChIKey: InChIKey=WDUYPZYXNKLMBE-QWHCGFSZSA-N
Formula: C22H26O5
Molecular Weight: 370.439674
Exact Mass: 370.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Wang, L.T., Khalil, A.T., Kuo, Y.H. Chem Pharm Bull (2004) 52, 402-5
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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) | 167.5 |
| 3 (CH) | 37 |
| 4 (C) | 28.4 |
| 5 (C) | 156.2 |
| 6 (C) | 103.4 |
| 7 (C) | 160.2 |
| 8 (C) | 110.3 |
| 9 (C) | 155.8 |
| 10 (C) | 105.6 |
| 1' (CH2) | 34.5 |
| 2' (CH2) | 20 |
| 3' (CH3) | 13.8 |
| 6a (C) | 201.6 |
| 6b (CH) | 44.5 |
| 6c (CH) | 76.4 |
| 6d (CH3) | 9.4 |
| 6e (CH3) | 16.3 |
| 8a (CH2) | 21.3 |
| 8b (CH) | 121.4 |
| 8c (C) | 132.4 |
| 8d (CH3) | 25.7 |
| 8e (CH3) | 17.8 |
