Spektraris NMR
4'-Octanoyloxyosthenol
Common Name: 4'-Octanoyloxyosthenol
Synonyms: 4'-Octanoyloxyosthenol
CAS Registry Number:
InChI: InChI=1S/C22H28O5/c1-3-4-5-6-7-8-20(24)26-15-16(2)9-12-18-19(23)13-10-17-11-14-21(25)27-22(17)18/h9-11,13-14,23H,3-8,12,15H2,1-2H3/b16-9+
InChIKey: InChIKey=JEXLWZGIUVBKFX-CXUHLZMHSA-N
Formula: C22H28O5
Molecular Weight: 372.455555
Exact Mass: 372.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shibano, M., Okuno, A., Taniguchi, M., Baba, K., Wang, N.H. J Nat Prod (2005) 68, 1445-9
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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) | 161.4 |
| 3 (CH) | 112.6 |
| 4 (CH) | 144 |
| 5 (CH) | 126.6 |
| 6 (CH) | 112.9 |
| 7 (C) | 157.8 |
| 8 (C) | 114.5 |
| 9 (C) | 153.3 |
| 10 (C) | 112.7 |
| 8a (CH2) | 21.7 |
| 8b (CH) | 125.1 |
| 8c (C) | 132.7 |
| 8d (CH3) | 14.2 |
| 8e (CH2) | 69.6 |
| 8ea (C) | 174 |
| 8eb (CH2) | 34.4 |
| 8ec (CH2) | 25 |
| 8ed (CH2) | 28.9 |
| 8ee (CH2) | 30 |
| 8ef (CH2) | 31.6 |
| 8eg (CH2) | 22.6 |
| 8eh (CH3) | 14 |
