Spektraris NMR
8-O-Deacetylgerin
Common Name: 8-O-Deacetylgerin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h5-6,11-12,14,18H,1-2,7-8H2,3-4H3/t11-,12+,14-,16-/m1/s1
InChIKey: InChIKey=GNMSMOKMXJPDOR-FAXLKDOZSA-N
Formula: C16H20O4
Molecular Weight: 276.328209
Exact Mass: 276.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Wu, Q.X., Shi, Y.P. Chem Biodivers (2008) 5, 279-89
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 (CH) | 161.64 |
| 2 (CH) | 125.94 |
| 3 (C) | 189.13 |
| 4 (C) | 145.48 |
| 5 (CH) | 48.42 |
| 6 (CH2) | 22.52 |
| 7 (CH) | 43.57 |
| 8 (CH) | 67.53 |
| 9 (CH2) | 41.9 |
| 10 (C) | 37.45 |
| 11 (C) | 140.9 |
| 12 (C) | 167.13 |
| 13 (CH2) | 126.66 |
| 14 (CH3) | 117.96 |
| 15 (CH2) | 20.94 |
| 12a (CH3) | 52 |
