Spektraris NMR
icariside E4
Common Name: icariside E4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O10/c1-13-21(29)22(30)23(31)26(34-13)35-18-7-6-15(11-19(18)32-2)24-17(12-28)16-9-14(5-4-8-27)10-20(33-3)25(16)36-24/h6-7,9-11,13,17,21-24,26-31H,4-5,8,12H2,1-3H3/t13-,17+,21-,22+,23+,24-,26-/m0/s1
InChIKey: InChIKey=FYWCDZKQBWSMDD-YGYBHAICSA-N
Formula: C26H34O10
Molecular Weight: 506.543168
Exact Mass: 506.215197
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sadhu, S.K., Okuyama, E., Fujimoto, H., Ishibashi, M., Yesilada, E. J Ethnopharmacol (2006) 108, 371-8
Species:
Notes: Family : Lignans, Type : Neolignans, Group : Benzofurans; 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) | 138.8 |
| 2 (CH) | 111.4 |
| 3 (C) | 152.2 |
| 4 (C) | 146.6 |
| 5 (CH) | 119.6 |
| 6 (CH) | 119.1 |
| 7 (CH) | 88.6 |
| 8 (CH) | 55.6 |
| 9 (CH2) | 65.1 |
| 1' (C) | 137.1 |
| 2' (CH) | 118 |
| 3' (C) | 129.6 |
| 4' (C) | 145.3 |
| 5' (C) | 147.5 |
| 6' (CH) | 114.3 |
| 7' (CH2) | 32.9 |
| 8' (CH2) | 35.8 |
| 9' (CH2) | 62.2 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 72.2 |
| 3'' (CH) | 72.1 |
| 4'' (CH) | 73.9 |
| 5'' (CH) | 70.8 |
| 6'' (CH3) | 17.9 |
| 3a (CH3) | 56.8 |
| 5'a (CH3) | 56.5 |
