Spektraris NMR
Siamenol B
Common Name: Siamenol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O7/c1-5-7-13(23)17-18(25)11-8-14(21(3,4)26)27-19(11)16-10(12(22)6-2)9-15(24)28-20(16)17/h9,12,14,22,25-26H,5-8H2,1-4H3/t12-,14?/m0/s1
InChIKey: InChIKey=KJESFZJNOLYRHM-NBFOIZRFSA-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) | 160.78 |
| 3 (CH) | 105.27 |
| 4 (C) | 161.05 |
| 5 (C) | 161.16 |
| 6 (C) | 110.62 |
| 7 (C) | 163.1 |
| 8 (C) | 104.76 |
| 9 (C) | 156.68 |
| 10 (C) | 97.04 |
| 1' (CH) | 71.22 |
| 2' (CH2) | 30.59 |
| 3' (CH3) | 10.45 |
| 6a (CH2) | 26.31 |
| 6b (CH) | 93.55 |
| 6c (C) | 71.13 |
| 6d (CH3) | 24.55 |
| 6e (CH3) | 27.29 |
| 8a (C) | 205.57 |
| 8b (CH2) | 46.3 |
| 8c (CH2) | 17.59 |
| 8d (CH3) | 13.53 |
