Spektraris NMR
Briaexcavatin B
Common Name: Briaexcavatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O13/c1-11-16(33)9-18(36-13(3)30)26(7)19(11)21(38-15(5)32)28-23(39-24(34)27(28,8)41-28)22-25(6,40-22)10-17(35-12(2)29)20(26)37-14(4)31/h11,17-23H,9-10H2,1-8H3/t11-,17-,18-,19+,20-,21-,22-,23-,25+,26-,27+,28+/m0/s1
InChIKey: InChIKey=ZMOHACYEGHKVHQ-JJAZHURPSA-N
Formula: C28H36O13
Molecular Weight: 580.578736
Exact Mass: 580.215591
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Chao, C., Chen, Y., Su, J., Hu, W., Sheu, J. Tetrahedron Lett (2005) 47, 167-70
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) | 43.4 |
| 2 (CH) | 74.6 |
| 3 (CH) | 71.9 |
| 4 (CH2) | 33.6 |
| 5 (C) | 60.8 |
| 6 (CH) | 62.8 |
| 7 (CH) | 77.6 |
| 8 (C) | 69.5 |
| 9 (CH) | 66.9 |
| 10 (CH) | 44 |
| 11 (CH) | 44.3 |
| 12 (C) | 206.1 |
| 13 (CH2) | 41.1 |
| 14 (CH) | 77.2 |
| 15 (CH3) | 18.3 |
| 16 (CH3) | 22.2 |
| 17 (C) | 61.4 |
| 18 (CH3) | 10.5 |
| 19 (C) | 170.4 |
| 20 (CH3) | 13.8 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21.5 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.3 |
| 9a (C) | 169.6 |
| 9b (CH3) | 21.3 |
| 14a (C) | 168.9 |
| 14b (CH3) | 21 |
