Spektraris NMR
Mammea B/BC
Common Name: Mammea B/BC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O5/c1-5-7-13-11-16(23)26-21-17(13)19(24)14(10-9-12(3)4)20(25)18(21)15(22)8-6-2/h9,11,24-25H,5-8,10H2,1-4H3
InChIKey: InChIKey=KXLBWJRELYDBOS-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) | 159.5 |
| 3 (CH) | 109.8 |
| 4 (C) | 158.8 |
| 5 (C) | 159.2 |
| 6 (C) | 110 |
| 7 (C) | 165.2 |
| 8 (C) | 104.3 |
| 9 (C) | 156.3 |
| 10 (C) | 102.2 |
| 1' (CH2) | 38.7 |
| 2' (CH2) | 22.7 |
| 3' (CH3) | 13.7 |
| 6a (CH2) | 21.6 |
| 6b (CH) | 120.1 |
| 6c (C) | 138.2 |
| 6d (CH3) | 25.7 |
| 6e (CH3) | 18.3 |
| 8a (C) | 206.5 |
| 8b (CH2) | 47 |
| 8c (CH2) | 18.2 |
| 8d (CH3) | 13.5 |
