Spektraris NMR
Briaexcavatin L
Common Name: Briaexcavatin L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O12/c1-11-8-19-26(25(7,38-26)22(32)37-19)21(36-14(4)29)20-23(5,17(9-15(11)30)34-12(2)27)18(35-13(3)28)10-16(31)24(20,6)33/h8,15-21,30-31,33H,9-10H2,1-7H3/b11-8-/t15-,16+,17+,18+,19+,20-,21+,23+,24-,25-,26+/m1/s1
InChIKey: InChIKey=KYFOODBGWIXULD-YSWMNTSASA-N
Formula: C26H36O12
Molecular Weight: 540.55786
Exact Mass: 540.220677
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) | 47.9 |
| 2 (CH) | 74.2 |
| 3 (CH2) | 40.3 |
| 4 (CH) | 70.8 |
| 5 (C) | 146.2 |
| 6 (CH) | 122.2 |
| 7 (CH) | 73.6 |
| 8 (C) | 70.6 |
| 9 (CH) | 67.2 |
| 10 (CH) | 48.9 |
| 11 (C) | 78.2 |
| 12 (CH) | 73.3 |
| 13 (CH2) | 30.2 |
| 14 (CH) | 74.9 |
| 15 (CH3) | 14.4 |
| 16 (CH3) | 25.3 |
| 17 (C) | 66.4 |
| 18 (CH3) | 10.3 |
| 19 (C) | 170.3 |
| 20 (CH3) | 17 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21.4 |
| 9a (C) | 170.2 |
| 9b (CH3) | 21.3 |
| 14a (C) | 168.2 |
| 14b (CH3) | 21.2 |
