Spektraris NMR
Calanolide A
Common Name: Calanolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18+/m1/s1
InChIKey: InChIKey=NIDRYBLTWYFCFV-FMTVUPSXSA-N
Formula: C22H26O5
Molecular Weight: 370.439674
Exact Mass: 370.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Palmer, R., L., J.J. J Chem Soc, Perkin Trans 1 (1995) 0, 3135-52
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) | 160.5 |
| 3 (CH) | 110.1 |
| 4 (C) | 158.9 |
| 5 (C) | 151.1 |
| 6 (C) | 106.3 |
| 7 (C) | 153.1 |
| 8 (C) | 106.4 |
| 9 (C) | 154.5 |
| 10 (C) | 104 |
| 1' (CH2) | 38.6 |
| 2' (CH2) | 23.2 |
| 3' (CH3) | 14 |
| 6a (CH) | 116.5 |
| 6b (CH) | 126.9 |
| 6c (C) | 77.6 |
| 6d (CH3) | 27.4 |
| 6e (CH3) | 28 |
| 8a (CH) | 67.1 |
| 8b (CH) | 40.4 |
| 8c (CH) | 77.1 |
| 8d (CH3) | 15.1 |
| 8e (CH3) | 18.9 |
