Spektraris NMR
Mammea B/AA Cyclo D
Common Name: Mammea B/AA Cyclo D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O5/c1-6-7-13-11-16(24)26-20-14-8-9-22(4,5)27-21(14)18(19(25)17(13)20)15(23)10-12(2)3/h8-9,11-12,25H,6-7,10H2,1-5H3
InChIKey: InChIKey=HFAAKRPQEQUFBI-UHFFFAOYSA-N
Formula: C22H26O5
Molecular Weight: 370.439674
Exact Mass: 370.178024
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) | 160 |
| 3 (CH) | 110.3 |
| 4 (C) | 159.4 |
| 5 (C) | 165.2 |
| 6 (C) | 107.1 |
| 7 (C) | 157.2 |
| 8 (C) | 101.5 |
| 9 (C) | 155 |
| 10 (C) | 103.3 |
| 1' (CH2) | 38.4 |
| 2' (CH2) | 22.7 |
| 3' (CH3) | 13.9 |
| 6a (C) | 207.1 |
| 6b (CH2) | 53.6 |
| 6c (CH) | 25.1 |
| 6d (CH3) | 22.6 |
| 6e (CH3) | 22.6 |
| 8a (CH) | 115.7 |
| 8b (CH) | 126.1 |
| 8c (C) | 79.6 |
| 8d (CH3) | 28.2 |
| 8e (CH3) | 28.2 |
