Spektraris NMR
Brasimarin A
Common Name: Brasimarin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H22O5/c1-4-8-15-13-17(25)28-23-18(15)22-16(11-12-24(2,3)29-22)21(27)19(23)20(26)14-9-6-5-7-10-14/h5-7,9-13,27H,4,8H2,1-3H3
InChIKey: InChIKey=QWYOEBGEICIGCR-UHFFFAOYSA-N
Formula: C24H22O5
Molecular Weight: 390.429383
Exact Mass: 390.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ito, C., Itoigawa, M., Mishina, Y., Filho, V.C., Enjo, F., Tokuda, H., Nishino, H., Furukawa, H. J Nat Prod (2003) 66, 368-71
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarin; 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) | 158.4 |
| 3 (CH) | 111.2 |
| 4 (C) | 157.6 |
| 5 (C) | 156.7 |
| 6 (C) | 105.9 |
| 7 (C) | 160.7 |
| 8 (C) | 104.1 |
| 9 (C) | 156.2 |
| 10 (C) | 103 |
| 1' (CH2) | 38.7 |
| 2' (CH2) | 23.2 |
| 3' (CH3) | 14 |
| 6a (CH) | 115.9 |
| 6b (CH) | 126.6 |
| 6c (C) | 79.7 |
| 6d (CH3) | 28.3 |
| 6e (CH3) | 28.3 |
| 8a (C) | 198.9 |
| 8b (C) | 140.3 |
| 8c (CH) | 128.2 |
| 8d (CH) | 128.1 |
| 8e (CH) | 132.3 |
| 8f (CH) | 128.1 |
| 8g (CH) | 128.2 |
