Spektraris NMR
Juncenolide B
Common Name: Juncenolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O13/c1-13-25(34)41-21-9-18(11-29)7-8-20(38-15(3)31)26(6)22(24(28(13,21)35)40-17(5)33)27(12-36-27)10-19(37-14(2)30)23(26)39-16(4)32/h7-9,13,19-24,29,35H,10-12H2,1-6H3/b8-7-,18-9+/t13-,19-,20-,21-,22+,23-,24-,26+,27-,28-/m0/s1
InChIKey: InChIKey=WPMYQORREBMMQN-BMHNIEGISA-N
Formula: C28H36O13
Molecular Weight: 580.578736
Exact Mass: 580.215591
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, Y.C., Lin, Y.C., Ko, C.L., Wang, L.T. J Nat Prod (2003) 66, 302-5
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) | 46.4 |
| 2 (CH) | 75.8 |
| 3 (CH) | 131.1 |
| 4 (CH) | 129.4 |
| 5 (C) | 144.1 |
| 6 (CH) | 123.9 |
| 7 (CH) | 78.5 |
| 8 (C) | 80.8 |
| 9 (CH) | 64.3 |
| 10 (CH) | 37.4 |
| 11 (C) | 58.3 |
| 12 (CH2) | 34.3 |
| 13 (CH) | 67.6 |
| 14 (CH) | 73.8 |
| 15 (CH3) | 14.5 |
| 16 (CH2) | 64 |
| 17 (CH) | 43.9 |
| 18 (CH3) | 6.6 |
| 19 (C) | 175.4 |
| 20 (CH2) | 50.1 |
| 2a (C) | 171 |
| 2b (CH3) | 21.4 |
| 9a (C) | 170.2 |
| 9b (CH3) | 20.9 |
| 13a (C) | 170.2 |
| 13b (CH3) | 21.5 |
| 14a (C) | 170.3 |
| 14b (CH3) | 20.8 |
