Spektraris NMR
seco-Briarellin R
Common Name: seco-Briarellin R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O8/c1-6-7-18(28)31-23(4)10-8-15-14(3)22(29)32-24(5,11-9-17(26)27)21-19(15)20(23)16(30-21)12-13(2)25/h14-16,19-21H,6-12H2,1-5H3,(H,26,27)/t14-,15+,16+,19+,20+,21+,23-,24+/m1/s1
InChIKey: InChIKey=BEFLHDZUKXCHNN-BKRRLAKPSA-N
Formula: C24H36O8
Molecular Weight: 452.538768
Exact Mass: 452.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ospina, C.A., Rodriguez, A.D. J Nat Prod (2006) 69, 1721-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Unicellanes; 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) | 44.3 |
| 2 (CH) | 87.9 |
| 3 (C) | 83.4 |
| 4 (CH2) | 29.9 |
| 5 (CH2) | 28.7 |
| 6 (C) | 177 |
| 7 (C) | 206.6 |
| 8 (CH2) | 50 |
| 9 (CH) | 77.8 |
| 10 (CH) | 52.4 |
| 11 (C) | 80.4 |
| 12 (CH2) | 30.1 |
| 13 (CH2) | 16.2 |
| 14 (CH) | 36.1 |
| 15 (CH) | 45.8 |
| 16 (C) | 175.8 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 20.7 |
| 19 (CH3) | 31.3 |
| 20 (CH3) | 28.8 |
| 11a (C) | 172.7 |
| 11b (CH2) | 37.2 |
| 11c (CH2) | 18.5 |
| 11d (CH3) | 13.7 |
