Spektraris NMR
Briaexcavatin K
Common Name: Briaexcavatin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O10/c1-11-9-17-24(23(6,34-24)20(29)33-17)19(32-13(3)26)18-21(4,8-7-15(28)22(18,5)30)16(10-14(11)27)31-12(2)25/h7-9,14-19,27-28,30H,10H2,1-6H3/b11-9-/t14-,15-,16+,17+,18-,19+,21-,22+,23-,24+/m1/s1
InChIKey: InChIKey=KOFOYHPSWNEZBJ-LOXXDMOYSA-N
Formula: C24H32O10
Molecular Weight: 480.505815
Exact Mass: 480.199547
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Lin, M., Su, Y., Chiang, M.Y., Hu, W., Su, J., Cheng, M., Hwang, T., Sheu, J. Tetrahedron (2008) 64, 2596-604
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) | 77.8 |
| 3 (CH2) | 41.4 |
| 4 (CH) | 71.2 |
| 5 (C) | 147.3 |
| 6 (CH) | 122.2 |
| 7 (CH) | 73.5 |
| 8 (C) | 70.3 |
| 9 (CH) | 67.1 |
| 10 (CH) | 43.8 |
| 11 (C) | 75.3 |
| 12 (CH) | 71.8 |
| 13 (CH) | 124 |
| 14 (CH) | 139 |
| 15 (CH3) | 17.8 |
| 16 (CH3) | 25.8 |
| 17 (C) | 62.7 |
| 18 (CH3) | 9.6 |
| 19 (C) | 171.1 |
| 20 (CH3) | 28.1 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21.7 |
| 9a (C) | 169.6 |
| 9b (CH3) | 21.1 |
