Spektraris NMR
Salicylihalamide A
Common Name: Salicylihalamide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H33NO5/c1-3-4-5-6-16-24(30)27-17-10-14-21-18-23(29)19(2)11-7-8-12-20-13-9-15-22(28)25(20)26(31)32-21/h4-10,13,15-17,19,21,23,28-29H,3,11-12,14,18H2,1-2H3,(H,27,30)/b5-4-,8-7+,16-6-,17-10+/t19-,21-,23+/m0/s1
InChIKey: InChIKey=VFCUJHFLFHQCRD-PFIOQAQVSA-N
Formula: C26H33N1O5
Molecular Weight: 439.544946
Exact Mass: 439.235873
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Erickson, K.L., Beutler, J.A., Cardellina, J.H., Ii, Boyd, M.R. J Org Chem (1997) 62, 8188-92
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Macrocycles; 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 |
|---|---|
| 1 (C) | 171 |
| 2 (C) | 123 |
| 3 (C) | 157.1 |
| 4 (CH) | 115.3 |
| 5 (CH) | 131.6 |
| 6 (CH) | 122.5 |
| 7 (C) | 140.7 |
| 8 (CH2) | 38.8 |
| 9 (CH) | 130.7 |
| 10 (CH) | 131.7 |
| 11 (CH2) | 38.9 |
| 12 (CH) | 38.6 |
| 13 (CH) | 72 |
| 14 (CH2) | 36.6 |
| 15 (CH) | 76 |
| 16 (CH2) | 37.6 |
| 17 (CH) | 110.4 |
| 18 (CH) | 126.2 |
| 20 (C) | 165.9 |
| 21 (CH) | 120.3 |
| 22 (CH) | 137.7 |
| 23 (CH) | 125.3 |
| 24 (CH) | 142.6 |
| 25 (CH2) | 21.5 |
| 26 (CH3) | 14.4 |
| 12a (CH3) | 13.6 |
