Spektraris NMR
3α-Hydroxyilicic acid methyl ester
Common Name: 3α-Hydroxyilicic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H26O4/c1-10(14(18)20-4)11-5-7-15(2)8-6-13(17)16(3,19)12(15)9-11/h11-13,17,19H,1,5-9H2,2-4H3/t11-,12-,13-,15+,16+/m1/s1
InChIKey: InChIKey=MJSUJBPBSPLBBI-UVQHHTHUSA-N
Formula: C16H26O4
Molecular Weight: 282.375854
Exact Mass: 282.183109
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Abou-Douh, A.M. Chem Pharm Bull (2008) 56, 1535-45
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 |
|---|---|
| 1 (CH2) | 49.2 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 76.4 |
| 4 (C) | 75.8 |
| 5 (CH) | 55 |
| 6 (CH2) | 27.3 |
| 7 (CH) | 40.5 |
| 8 (CH2) | 26.5 |
| 9 (CH2) | 44.6 |
| 10 (C) | 34.6 |
| 11 (C) | 145.7 |
| 12 (C) | 167.9 |
| 13 (CH2) | 122.5 |
| 14 (CH3) | 18.7 |
| 15 (CH3) | 22.5 |
| 12a (CH3) | 51.7 |
