Spektraris NMR
Picramnioside B
Common Name: Picramnioside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O10/c1-8(24)31-22-20(30)18(28)19(29)21(32-22)14-10-3-2-4-12(25)15(10)17(27)16-11(14)5-9(7-23)6-13(16)26/h2-6,14,18-23,25-26,28-30H,7H2,1H3/t14-,18+,19+,20-,21-,22-/m0/s1
InChIKey: InChIKey=WLMRFFFLFIPZEO-BEAMAMLNSA-N
Formula: C22H22O10
Molecular Weight: 446.404936
Exact Mass: 446.121297
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Solis, P.N., Ravelo, A.G., Gonzalez, A.G., Gupta, M.P., Phillipson, J.D. Phytochemistry (1995) 38, 477-80
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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 (C) | 161.2 |
| 2 (CH) | 113 |
| 3 (C) | 151.8 |
| 4 (CH) | 118.4 |
| 4a (C) | 141.2 |
| 5 (CH) | 118.2 |
| 6 (CH) | 136.3 |
| 7 (CH) | 115.7 |
| 8 (C) | 161.6 |
| 8a (C) | 117.2 |
| 9 (C) | 193.5 |
| 9a (C) | 115.7 |
| 10 (CH) | 42.7 |
| 10a (C) | 146.1 |
| 11 (CH2) | 62.6 |
| 1' (CH) | 80.9 |
| 2' (CH) | 66.7 |
| 3' (CH) | 71.7 |
| 4' (CH) | 69.3 |
| 5' (CH) | 93.7 |
| 5'a (C) | 168 |
| 5'b (CH3) | 20.5 |
