Spektraris NMR
Briareolide K
Common Name: Briareolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O8/c1-7-8-21(28)33-19-11-9-14(2)13-20-26(31,16(4)24(30)34-20)23(29)22-15(3)10-12-18(25(19,22)6)32-17(5)27/h10,13,16,18-20,22,31H,7-9,11-12H2,1-6H3/b14-13-/t16-,18-,19-,20-,22+,25+,26+/m0/s1
InChIKey: InChIKey=GPNBQYHPRNKZMX-XKXHDCGASA-N
Formula: C26H36O8
Molecular Weight: 476.56024
Exact Mass: 476.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mootoo, B.S., Ramsewak, R., Sharma, R., Tinto, W.F., Lough, A.J., McLean, S., Reynolds, W.F., Yang, J.P., Yu, M. Tetrahedron (1996) 52, 9953-62
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) | 46.6 |
| 2 (CH) | 72.8 |
| 3 (CH2) | 34.6 |
| 4 (CH2) | 29.7 |
| 5 (C) | 147.7 |
| 6 (CH) | 120.3 |
| 7 (CH) | 84.2 |
| 8 (C) | 87.4 |
| 9 (C) | 209.7 |
| 10 (CH) | 50.7 |
| 11 (C) | 130 |
| 12 (CH) | 121.9 |
| 13 (CH2) | 26.4 |
| 14 (CH) | 71.8 |
| 15 (CH3) | 15.2 |
| 16 (CH3) | 26.7 |
| 17 (CH) | 42.4 |
| 18 (CH3) | 7.6 |
| 19 (C) | 174.8 |
| 20 (CH3) | 23.6 |
| 2a (C) | 173.3 |
| 2b (CH2) | 36.1 |
| 2c (CH2) | 18.2 |
| 2d (CH3) | 13.7 |
| 14a (C) | 170.4 |
| 14b (CH3) | 21.2 |
