Spektraris NMR
Briaexcavatin J
Common Name: Briaexcavatin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O13/c1-12-18(33)9-20(37-14(3)30)26(6)21(38-15(4)31)10-19(34)17(11-36-13(2)29)8-22-28(24(23(12)26)39-16(5)32)27(7,41-28)25(35)40-22/h8,12,18-24,33-34H,9-11H2,1-7H3/b17-8-/t12-,18-,19+,20-,21-,22-,23+,24-,26+,27+,28-/m0/s1
InChIKey: InChIKey=UEMFATXDSKBINR-FOFUFTOWSA-N
Formula: C28H38O13
Molecular Weight: 582.594618
Exact Mass: 582.231241
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) | 45.6 |
| 2 (CH) | 74.3 |
| 3 (CH2) | 39.5 |
| 4 (CH) | 69.2 |
| 5 (C) | 145.5 |
| 6 (CH) | 125 |
| 7 (CH) | 73.3 |
| 8 (C) | 70.7 |
| 9 (CH) | 73.6 |
| 10 (CH) | 41.5 |
| 11 (CH) | 44.6 |
| 12 (CH) | 66.8 |
| 13 (CH2) | 28.9 |
| 14 (CH) | 76 |
| 15 (CH3) | 15.5 |
| 16 (CH2) | 68.2 |
| 17 (C) | 65.1 |
| 18 (CH3) | 11 |
| 19 (C) | 170.3 |
| 20 (CH3) | 9 |
| 2a (C) | 171.4 |
| 2b (CH3) | 21.4 |
| 9a (C) | 170.7 |
| 9b (CH3) | 21.4 |
| 14a (C) | 170.7 |
| 14b (CH3) | 21.1 |
| 16a (C) | 168.4 |
| 16b (CH3) | 21 |
