Spektraris NMR
Englerins A
Common Name: Englerins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25-,26+/m0/s1
InChIKey: InChIKey=GACOFEKSDCOVMV-BUEWVYCASA-N
Formula: C26H34O6
Molecular Weight: 442.545549
Exact Mass: 442.235539
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - de la Parra, V.R., Mierau, V., Anke, T., Sterner, O. J Antibiot (2006) 59, 57-60
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) | 47.1 |
| 2 (CH2) | 24.2 |
| 3 (CH2) | 30.6 |
| 4 (CH) | 30.7 |
| 5 (CH) | 46 |
| 6 (CH) | 70.6 |
| 7 (C) | 84.8 |
| 8 (CH2) | 39.5 |
| 9 (CH) | 74.4 |
| 10 (C) | 84.4 |
| 11 (CH) | 32.7 |
| 12 (CH3) | 18.1 |
| 13 (CH3) | 17.3 |
| 14 (CH3) | 18.8 |
| 15 (CH3) | 16.7 |
| 1' (C) | 165.2 |
| 2' (CH) | 117.8 |
| 3' (CH) | 145.2 |
| 4' (C) | 133.9 |
| 5' (CH) | 128.5 |
| 6' (CH) | 129 |
| 7' (CH) | 130.7 |
| 8' (CH) | 129 |
| 9' (CH) | 128.5 |
| 9a (C) | 172.4 |
| 9b (CH2) | 59.8 |
