Spektraris NMR
Englerins B
Common Name: Englerins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O4/c1-15(2)24-14-19(25)23(4,28-24)18-12-10-16(3)21(18)22(24)27-20(26)13-11-17-8-6-5-7-9-17/h5-9,11,13,15-16,18-19,21-22,25H,10,12,14H2,1-4H3/b13-11+/t16-,18-,19-,21-,22+,23-,24+/m0/s1
InChIKey: InChIKey=VWHNJBKOOIZSEF-SJLGHCEOSA-N
Formula: C24H32O4
Molecular Weight: 384.509385
Exact Mass: 384.23006
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) | 47.3 |
| 2 (CH2) | 24.4 |
| 3 (CH2) | 30.7 |
| 4 (CH) | 30.6 |
| 5 (CH) | 45.8 |
| 6 (CH) | 71.1 |
| 7 (C) | 84.1 |
| 8 (CH2) | 42.5 |
| 9 (CH) | 70.8 |
| 10 (C) | 85 |
| 11 (CH) | 32.9 |
| 12 (CH3) | 18.3 |
| 13 (CH3) | 17.4 |
| 14 (CH3) | 19.4 |
| 15 (CH3) | 16.8 |
| 1' (C) | 165.3 |
| 2' (CH) | 118 |
| 3' (CH) | 145 |
| 4' (C) | 134 |
| 5' (CH) | 128.5 |
| 6' (CH) | 129 |
| 7' (CH) | 130.6 |
| 8' (CH) | 129 |
| 9' (CH) | 128.5 |
