Spektraris NMR
Sesartemin
Common Name: Sesartemin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1
InChIKey: InChIKey=DHWUVPPRBIJJKS-VUEDXXQZSA-N
Formula: C23H26O8
Molecular Weight: 430.448625
Exact Mass: 430.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A., Mahmoud, A.A., Ali, E.T., Tzakou, O., Couladis, M., Mabry, T.J., Gati, T., Toth, G. Phytochemistry (2002) 59, 851-6
Species:
Notes: Family : Lignans, Type : Lignans, Group : Bisepoxylignans; 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) | 135.8 |
| 2 (CH) | 100 |
| 3 (C) | 149.1 |
| 4 (C) | 134.6 |
| 5 (C) | 143.6 |
| 6 (CH) | 105.6 |
| 7 (CH) | 86 |
| 8 (CH) | 54.3 |
| 9 (CH2) | 71.8 |
| 1' (C) | 136.7 |
| 2' (CH) | 102.8 |
| 3' (C) | 153.4 |
| 4' (C) | 137.5 |
| 5' (C) | 153.4 |
| 6' (CH) | 102.8 |
| 7' (CH) | 85.8 |
| 8' (CH) | 54.3 |
| 9' (CH2) | 72 |
| 3a (CH2) | 101.5 |
| 5a (CH3) | 56.7 |
| 3'a (CH3) | 56.2 |
| 4'a (CH3) | 60.8 |
| 5'a (CH3) | 56.2 |
