Spektraris NMR
Cyclobutenbriarein A
Common Name: Cyclobutenbriarein A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O10/c1-7-8-14(28)34-21-16-20(35-16)24(5)17(25(21,6)31)22(33-12(4)27)26(32)11(3)23(30)36-19(26)15-10(2)9-13(15)18(24)29/h9,11,13,15-17,19-22,31-32H,7-8H2,1-6H3/t11-,13-,15+,16+,17+,19-,20-,21+,22-,24-,25-,26-/m0/s1
InChIKey: InChIKey=AYCOKFQIJWJCBF-NPNSXBMESA-N
Formula: C26H34O10
Molecular Weight: 506.543168
Exact Mass: 506.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez, N., Rodriguez, J., Kerr, R.G., Jimenez, C. J Org Chem (2002) 67, 5117-23
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) | 50.3 |
| 2 (C) | 208.8 |
| 3 (CH) | 48 |
| 4 (CH) | 127.9 |
| 5 (C) | 149.4 |
| 6 (CH) | 46.5 |
| 7 (CH) | 82.9 |
| 8 (C) | 80.1 |
| 9 (CH) | 65.7 |
| 10 (CH) | 36.2 |
| 11 (C) | 71.2 |
| 12 (CH) | 72.1 |
| 13 (CH) | 51.1 |
| 14 (CH) | 59.3 |
| 15 (CH3) | 16.2 |
| 16 (CH3) | 16.6 |
| 17 (CH) | 41.9 |
| 18 (C) | 176.3 |
| 19 (CH3) | 6.5 |
| 20 (CH3) | 25.8 |
| 9a (C) | 169.2 |
| 9b (CH3) | 21.1 |
| 12a (C) | 174.5 |
| 12b (CH2) | 36.1 |
| 12c (CH2) | 18.5 |
| 12d (CH3) | 13.6 |
