Spektraris NMR
Soporoside
Common Name: Soporoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O16/c28-7-17-20(34)22(36)24(38)26(41-17)43-25-23(37)21(35)18(8-29)42-27(25)39-10-4-13(32)19-14(33)6-15(40-16(19)5-10)9-1-2-11(30)12(31)3-9/h1-5,15,17-18,20-32,34-38H,6-8H2/t15?,17-,18-,20-,21-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKey: InChIKey=HLQJCYNRIXWLJK-TUJOXVCQSA-N
Formula: C27H32O16
Molecular Weight: 612.534452
Exact Mass: 612.169035
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Es-Safi, N.E., Khlifi, S., Kerhoas, L., Kollmann, A., El Abbouyi, A., Ducrot, P.H. J Nat Prod (2005) 68, 1293-6
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonones; 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 |
|---|---|
| 2 (CH) | 79.3 |
| 3 (CH2) | 43.4 |
| 4 (C) | 198.4 |
| 5 (C) | 167.6 |
| 6 (CH) | 92.3 |
| 7 (C) | 163.1 |
| 8 (CH) | 96.7 |
| 9 (C) | 165.8 |
| 10 (C) | 101.4 |
| 1' (C) | 130.7 |
| 2' (CH) | 112.9 |
| 3' (C) | 147.9 |
| 4' (C) | 148.1 |
| 5' (CH) | 116 |
| 6' (CH) | 120.4 |
| 1'' (CH) | 100.9 |
| 2'' (CH) | 79 |
| 3'' (CH) | 72.9 |
| 4'' (CH) | 69.6 |
| 5'' (CH) | 75 |
| 6'' (CH2) | 62.8 |
| 1''' (CH) | 103.2 |
| 2''' (CH) | 72.9 |
| 3''' (CH) | 73.7 |
| 4''' (CH) | 71.8 |
| 5''' (CH) | 76.5 |
| 6''' (CH2) | 61.1 |
