Spektraris NMR
Juncin V
Common Name: Juncin V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O13/c1-12-24(33)40-18-9-16(10-35-6)7-8-17(37-13(2)28)25(5)20(23(27(12,18)34)39-15(4)30)26(11-36-26)22(32)19(21(25)31)38-14(3)29/h7-9,12,17-23,31-32,34H,10-11H2,1-6H3/b8-7-,16-9+/t12-,17-,18-,19+,20+,21-,22+,23-,25+,26-,27-/m0/s1
InChIKey: InChIKey=YACLHVZDDVKNFP-KQNQXUJSSA-N
Formula: C27H36O13
Molecular Weight: 568.568
Exact Mass: 568.215591
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) | 47.5 |
| 2 (CH) | 75.5 |
| 3 (CH) | 131.7 |
| 4 (CH) | 128 |
| 5 (C) | 141.2 |
| 6 (CH) | 123.4 |
| 7 (CH) | 79.1 |
| 8 (C) | 81.2 |
| 9 (CH) | 64.2 |
| 10 (CH) | 30.7 |
| 11 (C) | 60.4 |
| 12 (CH) | 76 |
| 13 (CH) | 68.1 |
| 14 (CH) | 76.5 |
| 15 (CH3) | 13.7 |
| 16 (CH2) | 73.1 |
| 17 (CH) | 44.3 |
| 18 (CH3) | 6.3 |
| 19 (C) | 175.6 |
| 20 (CH2) | 48.5 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21.1 |
| 9a (C) | 170.4 |
| 9b (CH3) | 21.4 |
| 13a (C) | 170.5 |
| 13b (CH3) | 21.5 |
| 16a (CH3) | 53 |
