Spektraris NMR
Briaexcavatin 1
Common Name: Briaexcavatin 1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O10/c1-12-8-9-18(32-14(3)27)24(6)19(33-15(4)28)11-17(30)13(2)21(24)22(34-16(5)29)26-20(10-12)35-23(31)25(26,7)36-26/h10,13,17-22,30H,8-9,11H2,1-7H3/b12-10-/t13-,17-,18-,19-,20-,21+,22-,24-,25+,26-/m0/s1
InChIKey: InChIKey=FMZWICAJKOKHQL-LZSVOMOKSA-N
Formula: C26H36O10
Molecular Weight: 508.55905
Exact Mass: 508.230847
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) | 45.7 |
| 2 (CH) | 75.1 |
| 3 (CH2) | 31.7 |
| 4 (CH2) | 28.5 |
| 5 (C) | 145.1 |
| 6 (CH) | 118.3 |
| 7 (CH) | 74.8 |
| 8 (C) | 71 |
| 9 (CH) | 74.1 |
| 10 (CH) | 41.3 |
| 11 (CH) | 44.5 |
| 12 (CH) | 66.8 |
| 13 (CH2) | 28.9 |
| 14 (CH) | 76.1 |
| 15 (CH3) | 15.4 |
| 16 (CH3) | 27.2 |
| 17 (C) | 65.1 |
| 18 (CH3) | 11 |
| 19 (C) | 170.6 |
| 20 (CH3) | 9 |
| 2a (C) | 170.5 |
| 2b (CH3) | 21.5 |
| 9a (C) | 170.4 |
| 9b (CH3) | 21.4 |
| 14a (C) | 168.2 |
| 14b (CH3) | 21.2 |
