Spektraris NMR
7-O-p-Hydroxybenzoyl-8-epiloganic acid
Common Name: 7-O-p-Hydroxybenzoyl-8-epiloganic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1
InChIKey: InChIKey=AMUCMTSSMZOQRF-NDDURLOJSA-N
Formula: C23H28O12
Molecular Weight: 496.462126
Exact Mass: 496.158076
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Harput, U.S., Varel, M., Nagatsu, A., Saracoglu, I. Phytochemistry (2004) 65, 2135-9
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) | 95.8 |
| 3 (CH) | 152.3 |
| 4 (C) | 114.2 |
| 5 (CH) | 31.7 |
| 6 (CH2) | 39.2 |
| 7 (CH) | 82.9 |
| 8 (CH) | 43.3 |
| 9 (CH) | 43.3 |
| 10 (CH3) | 14.4 |
| 11 (C) | 171.1 |
| 1' (CH) | 99.8 |
| 2' (CH) | 74.8 |
| 3' (CH) | 78 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 62.9 |
| 7a (C) | 167.9 |
| 7b (C) | 126.6 |
| 7c (CH) | 132.7 |
| 7d (CH) | 116.2 |
| 7e (C) | 163.6 |
| 7f (CH) | 116.2 |
| 7g (CH) | 132.7 |
