Spektraris NMR
Juncin X
Common Name: Juncin X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O14/c1-14-27(36)44-24-10-20(12-38-15(2)31)21(40-16(3)32)11-23(42-18(5)34)28(7)22(41-17(4)33)8-9-29(13-39-29)25(28)26(30(14,24)37)43-19(6)35/h10,14,21-26,37H,8-9,11-13H2,1-7H3/b20-10-/t14-,21+,22-,23-,24-,25+,26-,28+,29-,30-/m0/s1
InChIKey: InChIKey=HYCWDQFXGRZMOJ-SCCBUDBASA-N
Formula: C30H40O14
Molecular Weight: 624.631376
Exact Mass: 624.241806
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) | 72.8 |
| 3 (CH2) | 38.1 |
| 4 (CH) | 69.2 |
| 5 (C) | 140.1 |
| 6 (CH) | 123.7 |
| 7 (CH) | 76.4 |
| 8 (C) | 80.3 |
| 9 (CH) | 71.4 |
| 10 (CH) | 39.6 |
| 11 (C) | 62.3 |
| 12 (CH2) | 23.5 |
| 13 (CH2) | 24.5 |
| 14 (CH) | 73.2 |
| 15 (CH3) | 15.1 |
| 16 (CH2) | 65.6 |
| 17 (CH) | 42.2 |
| 18 (CH3) | 6.6 |
| 19 (C) | 176.4 |
| 20 (CH2) | 58.9 |
| 2a (C) | 169.5 |
| 2b (CH3) | 20.8 |
| 4a (C) | 170.1 |
| 4b (CH3) | 20.9 |
| 9a (C) | 170.2 |
| 9b (CH3) | 20.9 |
| 14a (C) | 170.7 |
| 14b (CH3) | 21 |
| 16a (C) | 170.8 |
| 16b (CH3) | 21.1 |
