Spektraris NMR
Mammea B/BA hydroxycyclo F
Common Name: Mammea B/BA hydroxycyclo F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-6-7-11-9-13(24)28-19-14(11)20-16(18(26)21(29-20)22(4,5)27)17(25)15(19)12(23)8-10(2)3/h9-10,18,21,25-27H,6-8H2,1-5H3/t18-,21-/m1/s1
InChIKey: InChIKey=RLXZPVHREVJOGJ-WIYYLYMNSA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
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) | 159.1 |
| 3 (CH) | 109.7 |
| 4 (C) | 157.1 |
| 5 (C) | 162.4 |
| 6 (C) | 112.3 |
| 7 (C) | 164.2 |
| 8 (C) | 105.1 |
| 9 (C) | 157.4 |
| 10 (C) | 99.6 |
| 1' (CH2) | 37.3 |
| 2' (CH2) | 22.7 |
| 3' (CH3) | 13.9 |
| 6a (CH) | 70.4 |
| 6b (CH) | 99 |
| 6c (C) | 71.4 |
| 6d (CH3) | 26 |
| 6e (CH3) | 25.1 |
| 8a (C) | 206.4 |
| 8b (CH2) | 53.5 |
| 8c (CH) | 25.6 |
| 8d (CH3) | 22.6 |
| 8e (CH3) | 22.6 |
