Spektraris NMR
Mammea B/BB
Common Name: Mammea B/BB
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-17(14)20(25)15(10-9-12(3)4)21(26)18(22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3
InChIKey: InChIKey=FSOGIJPGPZWNGO-UHFFFAOYSA-N
Formula: C22H28O5
Molecular Weight: 372.455555
Exact Mass: 372.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Crichton, E.G., Waterman, P.G. Phytochemistry (1978) 17, 1783-5
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) | 110.1 |
| 4 (C) | 159 |
| 5 (C) | 158.8 |
| 6 (C) | 102.3 |
| 7 (C) | 156.1 |
| 8 (C) | 104.2 |
| 9 (C) | 165.4 |
| 10 (C) | 109.9 |
| 1' (CH2) | 38.7 |
| 2' (CH2) | 22.7 |
| 3' (CH3) | 14 |
| 6a (CH2) | 21.6 |
| 6b (CH) | 120.2 |
| 6c (C) | 138.1 |
| 6d (CH3) | 18 |
| 6e (CH3) | 25.9 |
| 8a (C) | 210.7 |
| 8b (CH) | 46.9 |
| 8c (CH2) | 27.2 |
| 8d (CH3) | 11.7 |
| 8ba (CH3) | 16.6 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.