Spektraris NMR
Ixerin Z
Common Name: Ixerin Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O9/c1-7-4-5-10-8(2)20(27)29-19(10)13-9(3)18(15(24)12(7)13)30-21-17(26)16(25)14(23)11(6-22)28-21/h10-11,13-14,16-17,19,21-23,25-26H,2,4-6H2,1,3H3/t10-,11+,13-,14+,16-,17+,19-,21-/m0/s1
InChIKey: InChIKey=DLWWWKUZFJQXQX-XRKRTLBJSA-N
Formula: C21H26O9
Molecular Weight: 422.426558
Exact Mass: 422.157682
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, J.Y., Wang, Z.T., Xu, L.S., Xu, G.J., Kadota, S., Namba, T. Phytochemistry (1998) 48, 201-3
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) | 153 |
| 2 (C) | 188.9 |
| 3 (C) | 153.7 |
| 4 (C) | 146.1 |
| 5 (CH) | 52.4 |
| 6 (CH) | 85.1 |
| 7 (CH) | 47.9 |
| 8 (CH2) | 24.1 |
| 9 (CH2) | 36.9 |
| 10 (C) | 124.6 |
| 11 (C) | 139.5 |
| 12 (C) | 169.1 |
| 13 (CH2) | 117.9 |
| 14 (CH3) | 21.7 |
| 15 (CH3) | 14.9 |
| 1' (CH) | 101.6 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.1 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.3 |
