Spektraris NMR
Ixerochinolide
Common Name: Ixerochinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O6/c1-11-8-18(28-19(26)9-14-4-6-15(24)7-5-14)21-13(3)23(27)29-22(21)20-12(2)17(25)10-16(11)20/h4-7,16-18,20-22,24-25H,1-3,8-10H2/t16-,17-,18+,20-,21+,22+/m0/s1
InChIKey: InChIKey=BBTINGNPUAXELD-QPOFKBRPSA-N
Formula: C23H24O6
Molecular Weight: 396.433933
Exact Mass: 396.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Khalil, A.T., Shen, Y.C., Guh, J.H., Cheng, S.Y. Chem Pharm Bull (2005) 53, 15-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) | 44.4 |
| 2 (CH2) | 39 |
| 3 (CH) | 73.4 |
| 4 (C) | 152.6 |
| 5 (CH) | 50.3 |
| 6 (CH) | 78.8 |
| 7 (CH) | 48.3 |
| 8 (CH) | 67.7 |
| 9 (CH2) | 39.4 |
| 10 (C) | 142.1 |
| 11 (C) | 134.3 |
| 12 (C) | 169.6 |
| 13 (CH2) | 122.4 |
| 14 (CH2) | 117.9 |
| 15 (CH2) | 111.7 |
| 1' (C) | 171.1 |
| 2' (CH2) | 40.9 |
| 3' (C) | 125.3 |
| 4' (CH) | 130.4 |
| 5' (CH) | 115.8 |
| 6' (C) | 155.4 |
| 7' (CH) | 115.8 |
| 8' (CH) | 130.4 |
