Spektraris NMR
Junceol A
Common Name: Junceol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O11/c1-15(2)12-26(35)41-22-14-24(39-20(7)33)30(9)23(38-19(6)32)11-10-16(3)27(30)28(40-21(8)34)31(37)18(5)29(36)42-25(31)13-17(22)4/h13,15,18,22-25,27-28,37H,3,10-12,14H2,1-2,4-9H3/b17-13-/t18-,22+,23-,24-,25-,27+,28-,30+,31-/m0/s1
InChIKey: InChIKey=KZHYLKZXCRRFOK-WJKRCADUSA-N
Formula: C31H44O11
Molecular Weight: 592.67566
Exact Mass: 592.288362
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Pai, C., Su, Y., Hwang, T., Kuo, F., Fan, T., Li, J. Tetrahedron (2008) 64, 4224-32
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) | 47.4 |
| 2 (CH) | 72 |
| 3 (CH2) | 38 |
| 4 (CH) | 72.4 |
| 5 (C) | 144.5 |
| 6 (CH) | 123.8 |
| 7 (CH) | 77.2 |
| 8 (C) | 82.9 |
| 9 (CH) | 71.2 |
| 10 (CH) | 42.3 |
| 11 (C) | 151.1 |
| 12 (CH2) | 25.7 |
| 13 (CH2) | 27.6 |
| 14 (CH) | 73.7 |
| 15 (CH3) | 15.1 |
| 16 (CH3) | 26.1 |
| 17 (CH) | 42.5 |
| 18 (CH3) | 6.4 |
| 19 (C) | 175.9 |
| 20 (CH2) | 113 |
| 2a (C) | 169.3 |
| 2b (CH3) | 21.8 |
| 4a (C) | 172.2 |
| 4b (CH2) | 43.3 |
| 4c (CH) | 25.9 |
| 4d (CH3) | 22.5 |
| 4e (CH3) | 22.3 |
| 9a (C) | 170.5 |
| 9b (CH3) | 20.9 |
| 14a (C) | 170.3 |
| 14b (CH3) | 21.2 |
