Spektraris NMR
Briarein K
Common Name: Briarein K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H56O14/c1-9-11-12-13-14-16-32(43)51-29-20-28(49-24(5)40)36(7)27(48-23(4)39)18-17-26(21-47-31(42)15-10-2)19-30-38(46,22(3)35(44)52-30)34(50-25(6)41)33(36)37(29,8)45/h17-19,22,27-30,33-34,45-46H,9-16,20-21H2,1-8H3/b18-17-,26-19+/t22-,27-,28-,29+,30-,33+,34-,36-,37+,38-/m0/s1
InChIKey: InChIKey=CUQZHFSCFHEOFS-VKCYLKOISA-N
Formula: C38H56O14
Molecular Weight: 736.844315
Exact Mass: 736.367007
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Ramirez, C., Cobar, O.M. J Nat Prod (1996) 59, 15-22
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) | 45.4 |
| 2 (CH) | 75.4 |
| 3 (CH) | 132.1 |
| 4 (CH) | 127.6 |
| 5 (C) | 139 |
| 6 (CH) | 123.9 |
| 7 (CH) | 79.9 |
| 8 (C) | 81 |
| 9 (CH) | 69.1 |
| 10 (CH) | 38 |
| 11 (C) | 76.2 |
| 12 (CH) | 73.4 |
| 13 (CH2) | 26.4 |
| 14 (CH) | 72.9 |
| 15 (CH3) | 14.2 |
| 16 (CH2) | 63.6 |
| 17 (CH) | 44.8 |
| 18 (CH3) | 6.6 |
| 19 (C) | 176.1 |
| 20 (CH3) | 25.4 |
| 2a (C) | 170.6 |
| 2b (CH3) | 21.1 |
| 9a (C) | 168.8 |
| 9b (CH3) | 21.3 |
| 12a (C) | 175.5 |
| 12b (CH2) | 34.2 |
| 12c (CH2) | 24.9 |
| 12d (CH2) | 28.9 |
| 12e (CH2) | 29.1 |
| 12f (CH2) | 31.6 |
| 12g (CH2) | 22.5 |
| 12h (CH3) | 14 |
| 14a (C) | 169.6 |
| 14b (CH3) | 21.5 |
| 16a (C) | 173 |
| 16b (CH2) | 36.5 |
| 16c (CH2) | 18.4 |
| 16d (CH3) | 13.6 |
