Spektraris NMR
Mammea E/BC
Common Name: Mammea E/BC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O7/c1-6-8-16(25)20-22(28)14(10-9-12(3)4)21(27)19-15(11-18(26)30-23(19)20)17(7-2)29-13(5)24/h9,11,17,27-28H,6-8,10H2,1-5H3
InChIKey: InChIKey=SWZGXMPUJHYEME-UHFFFAOYSA-N
Formula: C23H28O7
Molecular Weight: 416.465101
Exact Mass: 416.183503
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) | 106.4 |
| 4 (C) | 157.1 |
| 5 (C) | 158.2 |
| 6 (C) | 110.1 |
| 7 (C) | 165.6 |
| 8 (C) | 104.6 |
| 9 (C) | 156.4 |
| 10 (C) | 100.4 |
| 1' (CH) | 73.7 |
| 2' (CH2) | 28.7 |
| 3' (CH3) | 10.1 |
| 6a (CH2) | 21.7 |
| 6b (CH) | 119.9 |
| 6c (C) | 138.8 |
| 6d (CH3) | 25.9 |
| 6e (CH3) | 18.1 |
| 8a (C) | 206.5 |
| 8b (CH2) | 46.7 |
| 8c (CH2) | 18.1 |
| 8d (CH3) | 13.8 |
| 1'a (C) | 170.4 |
| 1'b (CH3) | 21.1 |
