Spektraris NMR
Ashantin
Common Name: Ashantin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1
InChIKey: InChIKey=ONDWGDNAFRAXCN-VUEDXXQZSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
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) | 135.2 |
| 2 (CH) | 106.7 |
| 3 (C) | 148.2 |
| 4 (C) | 147.3 |
| 5 (CH) | 108.4 |
| 6 (CH) | 119.5 |
| 7 (CH) | 85.9 |
| 8 (CH) | 54.4 |
| 9 (CH2) | 71.9 |
| 1' (C) | 137 |
| 2' (CH) | 103 |
| 3' (C) | 153.6 |
| 4' (C) | 137.7 |
| 5' (C) | 153.6 |
| 6' (CH) | 103 |
| 7' (CH) | 86.2 |
| 8' (CH) | 54.6 |
| 9' (CH2) | 72.2 |
| 3a (CH2) | 101.3 |
| 3'a (CH3) | 56.4 |
| 4'a (CH3) | 61 |
| 5'a (CH3) | 56.4 |
