Spektraris NMR
Briarein
Common Name: Briarein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O9/c1-12-7-8-19(31-14(3)25)22(5)17(9-16-13(2)21(28)33-24(16,30)11-12)23(6,29)18(27)10-20(22)32-15(4)26/h11,17-20,27,29-30H,7-10H2,1-6H3/b12-11-/t17-,18+,19+,20+,22+,23+,24+/m1/s1
InChIKey: InChIKey=ZRTRFNHUESUSKO-JTNFDEDISA-N
Formula: C24H34O9
Molecular Weight: 466.522292
Exact Mass: 466.220283
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 : Briaranes; 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) | 44.3 |
| 2 (CH) | 77.2 |
| 3 (CH2) | 30.7 |
| 4 (CH2) | 28.4 |
| 5 (C) | 145.8 |
| 6 (CH) | 124.8 |
| 7 (C) | 106.2 |
| 8 (C) | 160.1 |
| 9 (CH2) | 25.1 |
| 10 (CH) | 39.5 |
| 11 (C) | 77.9 |
| 12 (CH) | 76.1 |
| 13 (CH2) | 26.8 |
| 14 (CH) | 75.6 |
| 15 (CH3) | 13.2 |
| 16 (CH3) | 22.9 |
| 17 (C) | 127.9 |
| 18 (CH3) | 9.9 |
| 19 (C) | 171.4 |
| 20 (CH3) | 30.9 |
| 2a (C) | 170.6 |
| 2b (CH3) | 21.2 |
| 14a (C) | 169 |
| 14b (CH3) | 21.4 |
