Spektraris NMR
6'-O-p-Hydroxybenzoylantirrinoside
Common Name: 6'-O-p-Hydroxybenzoylantirrinoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O12/c1-21-15-20(30-7-6-22(15,29)16(27)17(21)34-21)33-19-14(26)13(25)12(24)11(32-19)8-31-18(28)9-2-4-10(23)5-3-9/h2-7,11-17,19-20,23-27,29H,8H2,1H3/t11-,12-,13+,14-,15-,16-,17+,19+,20+,21-,22+/m1/s1
InChIKey: InChIKey=UVVWSZVDMSPHKK-PIGUKYKPSA-N
Formula: C22H26O12
Molecular Weight: 482.435508
Exact Mass: 482.142426
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Al-Rehaily, A.J., Abdel-Kader, M.S., Ahmad, M.S., Mossa, J.S. Phytochemistry (2006) 67, 429-32
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) | 95.6 |
| 3 (CH) | 142.8 |
| 4 (CH) | 107.7 |
| 5 (C) | 74.8 |
| 6 (CH) | 78.8 |
| 7 (CH) | 66 |
| 8 (C) | 63 |
| 9 (CH) | 53.3 |
| 10 (CH3) | 17.6 |
| 1' (CH) | 99.9 |
| 2' (CH) | 74.8 |
| 3' (CH) | 75.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 64.1 |
| 6'a (C) | 167.8 |
| 6'b (C) | 122.2 |
| 6'c (CH) | 132.9 |
| 6'd (CH) | 116.3 |
| 6'e (C) | 163.7 |
| 6'f (CH) | 116.3 |
| 6'g (CH) | 132.9 |
