Spektraris NMR
Mammea B/BB Cyclo F
Common Name: Mammea B/BB Cyclo F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-21-16(12)20-13(10-14(27-20)22(4,5)26)19(25)17(21)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3
InChIKey: InChIKey=YVCSPVUIXKMOLW-UHFFFAOYSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nogueira, P.C.L., Andrade, M.S., Andrade, L.M., Moraes, V.R.S., Ribeiro, A.S., Bittrich, V., Amaral, M.d.C.E., Ferreira, A.G., Alcantara, G.B., Lea, K.V., Alves, P.B. Biochem Syst Ecol (2009) 36, 921-4
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) | 109.3 |
| 4 (C) | 162 |
| 5 (C) | 163.1 |
| 6 (C) | 110.1 |
| 7 (C) | 163.1 |
| 8 (C) | 104.6 |
| 9 (C) | 157.3 |
| 10 (C) | 99.3 |
| 1' (CH2) | 37.6 |
| 2' (CH2) | 22.6 |
| 3' (CH3) | 13.9 |
| 6a (CH2) | 26.5 |
| 6b (CH) | 92.8 |
| 6c (C) | 71.4 |
| 6d (CH3) | 26.1 |
| 6e (CH3) | 24.7 |
| 8a (C) | 210.4 |
| 8b (CH) | 46.6 |
| 8c (CH2) | 27.1 |
| 8d (CH3) | 11.6 |
| 8ba (CH3) | 17 |
