Spektraris NMR
Mammea B/BA cyclo F
Common Name: Mammea B/BA cyclo F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3/t15-/m1/s1
InChIKey: InChIKey=TVYLJAPSHFFCMT-OAHLLOKOSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
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) | 109.5 |
| 4 (C) | 157.1 |
| 5 (C) | 162.1 |
| 6 (C) | 109.9 |
| 7 (C) | 163.1 |
| 8 (C) | 105.1 |
| 9 (C) | 157.5 |
| 10 (C) | 99.4 |
| 1' (CH2) | 37.3 |
| 2' (CH2) | 22.7 |
| 3' (CH3) | 13.9 |
| 6a (CH2) | 26.6 |
| 6b (CH) | 92.8 |
| 6c (C) | 71.6 |
| 6d (CH3) | 26.1 |
| 6e (CH3) | 24.7 |
| 8a (C) | 206.1 |
| 8b (CH2) | 53.4 |
| 8c (CH) | 25.6 |
| 8d (CH3) | 22.6 |
| 8e (CH3) | 22.6 |
