Spektraris NMR
Siamenol A
Common Name: Siamenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O7/c1-6-12(22)10-8-14(23)28-20-15(10)19-11(7-13(27-19)21(4,5)26)18(25)16(20)17(24)9(2)3/h8-9,12-13,22,25-26H,6-7H2,1-5H3/t12-,13?/m0/s1
InChIKey: InChIKey=ALFZPGQZISPNOG-UEWDXFNNSA-N
Formula: C21H26O7
Molecular Weight: 390.427748
Exact Mass: 390.167853
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) | 160.46 |
| 3 (CH) | 105.62 |
| 4 (C) | 160.46 |
| 5 (C) | 161.05 |
| 6 (C) | 110.68 |
| 7 (C) | 163.46 |
| 8 (C) | 103.99 |
| 9 (C) | 156.55 |
| 10 (C) | 97.11 |
| 1' (CH) | 71.47 |
| 2' (CH2) | 30.52 |
| 3' (CH3) | 10.38 |
| 6a (CH2) | 26.4 |
| 6b (CH) | 93.49 |
| 6c (C) | 71.1 |
| 6d (CH3) | 24.69 |
| 6e (CH3) | 26.96 |
| 8a (C) | 210.27 |
| 8b (CH) | 40.31 |
| 8c (CH3) | 19.68 |
| 8d (CH3) | 18.45 |
