Spektraris NMR
Junceellolide I
Common Name: Junceellolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O9/c1-12-7-8-17(31-14(3)25)23(6)16(27)9-10-22(5,29)19(23)20(32-15(4)26)24(30)13(2)21(28)33-18(24)11-12/h11,13,16-20,27,29-30H,7-10H2,1-6H3/b12-11-/t13-,16-,17-,18-,19-,20-,22-,23+,24-/m0/s1
InChIKey: InChIKey=UOAWVEYDWZRBSY-STLKKOCNSA-N
Formula: C24H36O9
Molecular Weight: 468.538173
Exact Mass: 468.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Lin, M.R., Fang, L.S. Chem Pharm Bull (2004) 52, 1504-6
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) | 51.6 |
| 2 (CH) | 77.4 |
| 3 (CH2) | 32.6 |
| 4 (CH2) | 28.9 |
| 5 (C) | 146.2 |
| 6 (CH) | 119 |
| 7 (CH) | 77.6 |
| 8 (C) | 80.9 |
| 9 (CH) | 68.3 |
| 10 (CH) | 49.9 |
| 11 (C) | 89.1 |
| 12 (CH2) | 29.2 |
| 13 (CH2) | 27.9 |
| 14 (CH) | 82.1 |
| 15 (CH3) | 15.4 |
| 16 (CH3) | 26.5 |
| 17 (CH) | 42 |
| 18 (CH3) | 6.6 |
| 19 (C) | 176.2 |
| 20 (CH3) | 23.2 |
| 2a (C) | 169.4 |
| 2b (CH3) | 21.4 |
| 9a (C) | 170.3 |
| 9b (CH3) | 21.1 |
