Spektraris NMR
Juncin Z
Common Name: Juncin Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O13/c1-13-9-10-21(39-16(4)31)28(7)22(40-17(5)32)12-20(38-15(3)30)19(27(35)37-8)11-23-29(36,14(2)26(34)42-23)25(24(13)28)41-18(6)33/h11,14,20-25,36H,1,9-10,12H2,2-8H3/b19-11+/t14-,20+,21-,22-,23-,24+,25-,28+,29-/m0/s1
InChIKey: InChIKey=SOQFUADBXGVECU-JKQCREBTSA-N
Formula: C29H38O13
Molecular Weight: 594.605354
Exact Mass: 594.231241
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) | 47.9 |
| 2 (CH) | 72.9 |
| 3 (CH2) | 37.4 |
| 4 (CH) | 67.6 |
| 5 (C) | 136.8 |
| 6 (CH) | 139.1 |
| 7 (CH) | 76.7 |
| 8 (C) | 82.9 |
| 9 (CH) | 72.2 |
| 10 (CH) | 43.3 |
| 11 (C) | 150.7 |
| 12 (CH2) | 29.3 |
| 13 (CH2) | 27.6 |
| 14 (CH) | 74.1 |
| 15 (CH3) | 14.4 |
| 16 (C) | 166.6 |
| 17 (CH) | 42.7 |
| 18 (CH3) | 6.4 |
| 19 (C) | 175.4 |
| 20 (CH2) | 112.4 |
| 2a (C) | 169.2 |
| 2b (CH3) | 20.8 |
| 4a (C) | 169.6 |
| 4b (CH3) | 21.1 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.2 |
| 14a (C) | 170.5 |
| 14b (CH3) | 21.7 |
| 16a (CH3) | 53 |
