Spektraris NMR
Juncin U
Common Name: Juncin U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46O15/c1-16(2)12-25(39)49-26-28(45-19(5)36)32(8)23(44-18(4)35)11-10-22(14-42-9)13-24-34(41,17(3)31(40)48-24)30(47-21(7)38)27(32)33(15-43-33)29(26)46-20(6)37/h10-11,13,16-17,23-24,26-30,41H,12,14-15H2,1-9H3/b11-10-,22-13+/t17-,23-,24-,26+,27+,28-,29+,30-,32+,33-,34-/m0/s1
InChIKey: InChIKey=FVLXVRRNMJEDIJ-JZLNOEMMSA-N
Formula: C34H46O15
Molecular Weight: 694.721369
Exact Mass: 694.283671
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) | 46.5 |
| 2 (CH) | 74.1 |
| 3 (CH) | 131.2 |
| 4 (CH) | 128.6 |
| 5 (C) | 141.6 |
| 6 (CH) | 122.8 |
| 7 (CH) | 78.9 |
| 8 (C) | 81.1 |
| 9 (CH) | 63.9 |
| 10 (CH) | 32.7 |
| 11 (C) | 58.4 |
| 12 (CH) | 73.3 |
| 13 (CH) | 66.3 |
| 14 (CH) | 73.9 |
| 15 (CH3) | 14.4 |
| 16 (CH2) | 72.2 |
| 17 (CH) | 44.2 |
| 18 (CH3) | 6.3 |
| 19 (C) | 175.3 |
| 20 (CH2) | 48.9 |
| 2a (C) | 169.6 |
| 2b (CH3) | 20.8 |
| 9a (C) | 169.6 |
| 9b (CH3) | 20.9 |
| 12a (C) | 169.9 |
| 12b (CH3) | 21.3 |
| 13a (C) | 171.7 |
| 13b (CH2) | 42.6 |
| 13c (CH) | 25 |
| 13d (CH3) | 22.4 |
| 13e (CH3) | 22.4 |
| 14a (C) | 170.2 |
| 14b (CH3) | 21.5 |
| 16a (CH3) | 53 |
