Spektraris NMR
Ixerin Y
Common Name: Ixerin Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O9/c1-8-5-12(23)14-9(2)20(27)30-19(14)15-10(3-4-11(8)15)7-28-21-18(26)17(25)16(24)13(6-22)29-21/h3,12-19,21-26H,2,4-7H2,1H3/t12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1
InChIKey: InChIKey=MKXRDMJASCUCQK-UXBPWJOGSA-N
Formula: C21H28O9
Molecular Weight: 424.442439
Exact Mass: 424.173332
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ma, J.Y., Wang, Z.T., Xu, L.S., Xu, G.J. Phytochemistry (1999) 50, 113-5
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 (C) | 137 |
| 2 (CH2) | 37.1 |
| 3 (CH) | 129.4 |
| 4 (C) | 142 |
| 5 (CH) | 52.3 |
| 6 (CH) | 82.8 |
| 7 (CH) | 59 |
| 8 (CH) | 68.8 |
| 9 (CH2) | 46.6 |
| 10 (C) | 126.8 |
| 11 (C) | 140 |
| 12 (C) | 170.2 |
| 13 (CH2) | 121.4 |
| 14 (CH3) | 23.1 |
| 15 (CH2) | 68.3 |
| 1' (CH) | 103.3 |
| 2' (CH) | 75.4 |
| 3' (CH) | 78.5 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 62.9 |
