Spektraris NMR
Juncin W
Common Name: Juncin W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O14/c1-12-25(35)42-19-9-17(10-37-13(2)29)7-8-18(39-14(3)30)26(6)21(24(28(12,19)36)41-16(5)32)27(11-38-27)23(34)20(22(26)33)40-15(4)31/h7-9,12,18-24,33-34,36H,10-11H2,1-6H3/b8-7-,17-9+/t12-,18-,19-,20+,21+,22-,23+,24-,26+,27-,28-/m0/s1
InChIKey: InChIKey=PCHFPGRGCOIYPV-INKVNPPZSA-N
Formula: C28H36O14
Molecular Weight: 596.578141
Exact Mass: 596.210506
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qi, S., Zhang, S., Qian, P., Xiao, Z., Li, M. Tetrahedron (2006) 62, 9123-30
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) | 75.1 |
| 3 (CH) | 132.5 |
| 4 (CH) | 127.1 |
| 5 (C) | 139.3 |
| 6 (CH) | 123.4 |
| 7 (CH) | 79.2 |
| 8 (C) | 81.3 |
| 9 (CH) | 64.2 |
| 10 (CH) | 30.6 |
| 11 (C) | 60.3 |
| 12 (CH) | 75.9 |
| 13 (CH) | 68.2 |
| 14 (CH) | 77 |
| 15 (CH3) | 13.6 |
| 16 (CH2) | 63.9 |
| 17 (CH) | 44.3 |
| 18 (CH3) | 6.3 |
| 19 (C) | 175.7 |
| 20 (CH2) | 48.3 |
| 2a (C) | 169.9 |
| 2b (CH3) | 20.8 |
| 9a (C) | 170.1 |
| 9b (CH3) | 21.1 |
| 13a (C) | 170.4 |
| 13b (CH3) | 21.3 |
| 16a (C) | 170.5 |
| 16b (CH3) | 21.4 |
