Spektraris NMR
Briareolide J
Common Name: Briareolide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O7/c1-7-8-21(28)33-20-11-9-14(2)13-18-22(16(4)25(30)32-18)24(29)23-15(3)10-12-19(26(20,23)6)31-17(5)27/h10,13,18-20,23-24,29H,7-9,11-12H2,1-6H3/b14-13-/t18-,19-,20-,23+,24+,26+/m0/s1
InChIKey: InChIKey=RXAUMCHNFMHTIK-OACUOQAKSA-N
Formula: C26H36O7
Molecular Weight: 460.560835
Exact Mass: 460.246104
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) | 42.6 |
| 2 (CH) | 74 |
| 3 (CH2) | 26.2 |
| 4 (CH2) | 29.9 |
| 5 (C) | 145.3 |
| 6 (CH) | 121.9 |
| 7 (CH) | 79.5 |
| 8 (C) | 161.1 |
| 9 (CH) | 68.6 |
| 10 (CH) | 45.8 |
| 11 (C) | 132 |
| 12 (CH) | 122.8 |
| 13 (CH2) | 28 |
| 14 (CH) | 75.5 |
| 15 (CH3) | 17.7 |
| 16 (CH3) | 24.1 |
| 17 (C) | 127.3 |
| 18 (CH3) | 10.2 |
| 19 (C) | 174.2 |
| 20 (CH3) | 22.1 |
| 2a (C) | 172.2 |
| 2b (CH2) | 36.6 |
| 2c (CH2) | 18.3 |
| 2d (CH3) | 13.7 |
| 14a (C) | 170.6 |
| 14b (CH3) | 21.1 |
