Spektraris NMR
Juncin Q
Common Name: Juncin Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O13/c1-11-23(33)39-17-8-15(9-27)6-7-16(36-12(2)28)24(5)19(22(26(11,17)34)38-14(4)30)25(10-35-25)21(32)18(20(24)31)37-13(3)29/h6-8,11,16-22,27,31-32,34H,9-10H2,1-5H3/b7-6-,15-8+/t11-,16-,17-,18+,19+,20-,21+,22-,24+,25-,26-/m0/s1
InChIKey: InChIKey=JSWVJKXNZNIPHT-YBYHWMLJSA-N
Formula: C26H34O13
Molecular Weight: 554.541383
Exact Mass: 554.199941
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Qi, S.H., Zhang, S., Huang, H., Xiao, Z.H., Huang, J.S., Li, Q.X. J Nat Prod (2004) 67, 1907-10
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) | 48.3 |
| 2 (CH) | 75.8 |
| 3 (CH) | 132.5 |
| 4 (CH) | 128.3 |
| 5 (C) | 147 |
| 6 (CH) | 121.6 |
| 7 (CH) | 81.8 |
| 8 (C) | 82 |
| 9 (CH) | 65.7 |
| 10 (CH) | 31.3 |
| 11 (C) | 60.4 |
| 12 (CH) | 76.6 |
| 13 (CH) | 70 |
| 14 (CH) | 77.3 |
| 15 (CH3) | 13.8 |
| 16 (CH2) | 63 |
| 17 (CH) | 45.6 |
| 18 (CH3) | 7.4 |
| 19 (C) | 176.9 |
| 20 (CH2) | 47.5 |
| 2a (C) | 168.2 |
| 2b (CH3) | 20.8 |
| 9a (C) | 170.3 |
| 9b (CH3) | 21.1 |
| 13a (C) | 171 |
| 13b (CH3) | 21.4 |
