Spektraris NMR
Siamenol D
Common Name: Siamenol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-6-10(3)18(25)17-19(26)12-8-14(22(4,5)27)28-20(12)16-11(13(23)7-2)9-15(24)29-21(16)17/h9-10,13-14,23,26-27H,6-8H2,1-5H3/t10?,13-,14?/m0/s1
InChIKey: InChIKey=SQQGGJWEISSOFM-AWAWDMARSA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Prachyawarakorn, V., Mahidol, C., Ruchirawat, S. Chem Pharm Bull (2006) 54, 884-6
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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 |
|---|---|
| 2 (C) | 160.69 |
| 3 (CH) | 105.24 |
| 4 (C) | 160.96 |
| 5 (C) | 161.15 |
| 6 (C) | 110.88 |
| 7 (C) | 163.33 |
| 8 (C) | 104.18 |
| 9 (C) | 156.23 |
| 10 (C) | 96.94 |
| 1' (CH) | 71.17 |
| 2' (CH2) | 30.57 |
| 3' (CH3) | 10.36 |
| 6a (CH2) | 26.2 |
| 6b (CH) | 93.75 |
| 6c (C) | 70.79 |
| 6d (CH3) | 24.7 |
| 6e (CH3) | 27.27 |
| 8a (C) | 209.69 |
| 8b (CH) | 46.41 |
| 8c (CH2) | 27.36 |
| 8d (CH3) | 14.92 |
| 8e (CH3) | 11.13 |
