Spektraris NMR
Mammea B/BD
Common Name: Mammea B/BD
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-16(13)19(24)14(9-8-11(2)3)20(25)17(21)18(23)12(4)5/h8,10,12,24-25H,6-7,9H2,1-5H3
InChIKey: InChIKey=FLFMHVIZGHIVEJ-UHFFFAOYSA-N
Formula: C21H26O5
Molecular Weight: 358.428938
Exact Mass: 358.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, H., Protiva, P., Gil, R.R., Jiang, B., Baggett, S., Basile, M.J., Reynertson, K.A., Weinstein, I.B., Kennelly, E.J. Planta Med (2005) 71, 852-60
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) | 159.4 |
| 3 (CH) | 109.7 |
| 4 (C) | 158.6 |
| 5 (C) | 159.1 |
| 6 (C) | 110.1 |
| 7 (C) | 165.4 |
| 8 (C) | 104.5 |
| 9 (C) | 156.2 |
| 10 (C) | 102.3 |
| 1' (CH2) | 38.9 |
| 2' (CH2) | 22.9 |
| 3' (CH3) | 13.9 |
| 6a (CH2) | 21.8 |
| 6b (CH) | 120.4 |
| 6c (C) | 138.2 |
| 6d (CH3) | 25.9 |
| 6e (CH3) | 18.1 |
| 8a (C) | 210.7 |
| 8b (CH) | 40.8 |
| 8c (CH3) | 19.3 |
| 8d (CH3) | 19.1 |
