Spektraris NMR
Briarellin E
Common Name: Briarellin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O6/c1-6-7-8-9-10-11-23(30)34-22-15-20(29)17(2)14-21-25-24-19(12-13-27(25,4)31)18(3)16-32-28(22,5)26(24)33-21/h18-22,24-26,29,31H,2,6-16H2,1,3-5H3/t18-,19-,20+,21-,22+,24-,25-,26-,27-,28-/m0/s1
InChIKey: InChIKey=KYMUVIPVMDQJFX-FKIWUTEQSA-N
Formula: C28H46O6
Molecular Weight: 478.662309
Exact Mass: 478.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Cobar, O.M. Chem Pharm Bull (1995) 43, 1853-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 39.43 |
| 2 (CH) | 92.2 |
| 3 (C) | 76.7 |
| 4 (CH) | 71.63 |
| 5 (CH2) | 37.06 |
| 6 (CH) | 74.03 |
| 7 (C) | 148.22 |
| 8 (CH2) | 38.98 |
| 9 (CH) | 81.96 |
| 10 (CH) | 51.85 |
| 11 (C) | 71.63 |
| 12 (CH2) | 39.6 |
| 13 (CH2) | 24.83 |
| 14 (CH) | 38.85 |
| 15 (CH) | 36.43 |
| 16 (CH2) | 67.39 |
| 17 (CH3) | 10.37 |
| 18 (CH3) | 17.89 |
| 19 (CH2) | 115.14 |
| 20 (CH3) | 28.73 |
| 4a (C) | 175.07 |
| 4b (CH2) | 34.78 |
| 4c (CH2) | 25.1 |
| 4d (CH2) | 28.94 |
| 4e (CH2) | 28.85 |
| 4f (CH2) | 31.68 |
| 4g (CH2) | 22.59 |
| 4h (CH3) | 13.99 |
