Spektraris NMR
Siamenol C
Common Name: Siamenol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-6-13(23)11-9-16(25)29-21-17(11)20-12(8-15(28-20)22(4,5)27)19(26)18(21)14(24)7-10(2)3/h9-10,13,15,23,26-27H,6-8H2,1-5H3/t13-,15?/m0/s1
InChIKey: InChIKey=MCSPDXSJHVZFHO-CFMCSPIPSA-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) | 160.98 |
| 3 (CH) | 104.95 |
| 4 (C) | 161.74 |
| 5 (C) | 160.98 |
| 6 (C) | 110.66 |
| 7 (C) | 162.99 |
| 8 (C) | 104.8 |
| 9 (C) | 156.32 |
| 10 (C) | 96.93 |
| 1' (CH) | 70.95 |
| 2' (CH2) | 30.68 |
| 3' (CH3) | 10.53 |
| 6a (CH2) | 26.24 |
| 6b (CH) | 93.61 |
| 6c (C) | 71.06 |
| 6d (CH3) | 24.45 |
| 6e (CH3) | 27.53 |
| 8a (C) | 205.13 |
| 8b (CH2) | 52.88 |
| 8c (CH) | 24.95 |
| 8d (CH3) | 22.5 |
| 8e (CH3) | 22.56 |
