Spektraris NMR
2α-Hydroxy-4-epi-ilicic acid
Common Name: 2α-Hydroxy-4-epi-ilicic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O4/c1-9(13(17)18)10-4-5-14(2)7-11(16)8-15(3,19)12(14)6-10/h10-12,16,19H,1,4-8H2,2-3H3,(H,17,18)/t10-,11-,12-,14+,15+/m1/s1
InChIKey: InChIKey=ZVJCVPQIEVSWAD-FPVZYODXSA-N
Formula: C15H24O4
Molecular Weight: 268.349236
Exact Mass: 268.167459
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) | 50.5 |
| 2 (CH) | 67.9 |
| 3 (CH2) | 52.6 |
| 4 (C) | 70.7 |
| 5 (CH) | 50 |
| 6 (CH2) | 27.8 |
| 7 (CH) | 40 |
| 8 (CH2) | 27 |
| 9 (CH2) | 43.9 |
| 10 (C) | 33.3 |
| 11 (C) | 147.6 |
| 12 (C) | 172.5 |
| 13 (CH2) | 122.6 |
| 14 (CH3) | 18.8 |
| 15 (CH3) | 26.7 |
