Spektraris NMR
Junceellolide J
Common Name: Junceellolide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O11/c1-12-22(30)36-21-20-23(5,37-20)9-7-16(33-13(2)27)24(6)17(34-14(3)28)8-10-25(11-32-25)18(24)19(26(12,21)31)35-15(4)29/h12,16-21,31H,7-11H2,1-6H3/t12-,16-,17-,18+,19-,20-,21-,23+,24-,25+,26+/m0/s1
InChIKey: InChIKey=BLEPLMPWNFVRAZ-UAXKXOAUSA-N
Formula: C26H36O11
Molecular Weight: 524.558455
Exact Mass: 524.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J., Chen, Y., Hwang, T., Chiang, M.Y., Fang, L., Sung, P. J Nat Prod (2006) 69, 269-73
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 |
| 2 (CH) | 74.4 |
| 3 (CH2) | 27.8 |
| 4 (CH2) | 31.5 |
| 5 (C) | 62.5 |
| 6 (CH) | 60.1 |
| 7 (CH) | 80.4 |
| 8 (C) | 79.9 |
| 9 (CH) | 67.1 |
| 10 (CH) | 42.3 |
| 11 (C) | 62.6 |
| 12 (CH2) | 23.7 |
| 13 (CH2) | 24.2 |
| 14 (CH) | 73.3 |
| 15 (CH3) | 14.2 |
| 16 (CH3) | 26.7 |
| 17 (CH) | 42.7 |
| 18 (CH3) | 6.5 |
| 19 (C) | 175.6 |
| 20 (CH2) | 59.3 |
| 2a (C) | 170.8 |
| 2b (CH3) | 21.7 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.1 |
| 14a (C) | 169.6 |
| 14b (CH3) | 20.9 |
