Spektraris NMR
7-Deoxy-8-epiloganic Acid
Common Name: 7-Deoxy-8-epiloganic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O10/c1-16-8(26-16)2-5-6(13(21)22)4-23-14(9(5)16)25-15-12(20)11(19)10(18)7(3-17)24-15/h4-5,7-12,14-15,17-20H,2-3H2,1H3,(H,21,22)/t5-,7-,8+,9-,10-,11+,12-,14+,15+,16+/m1/s1
InChIKey: InChIKey=DYJXNICFFHYULW-UKJXUXBJSA-N
Formula: C16H22O10
Molecular Weight: 374.34052
Exact Mass: 374.121297
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Gutierrez, R.M.P., Rangel, R.F., Baez, E.G. Chem Nat Compd (2008) 44, 35-8
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 95.9 |
| 3 (CH) | 148.2 |
| 4 (C) | 115.7 |
| 5 (CH) | 32.8 |
| 6 (CH2) | 37.1 |
| 7 (CH) | 64 |
| 8 (C) | 65.4 |
| 9 (CH) | 45.6 |
| 10 (CH3) | 18.5 |
| 1' (CH) | 99.9 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.3 |
| 4' (CH) | 72.1 |
| 5' (CH) | 78.7 |
| 6' (CH2) | 63.2 |
| 4a (C) | 174.1 |
