Spektraris NMR
Picramnioside A
Common Name: Picramnioside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H24O10/c28-11-12-9-15-18(14-7-4-8-16(29)19(14)21(31)20(15)17(30)10-12)25-23(33)22(32)24(34)27(36-25)37-26(35)13-5-2-1-3-6-13/h1-10,18,22-25,27-30,32-34H,11H2/t18-,22-,23-,24+,25+,27-/m1/s1
InChIKey: InChIKey=ONFRLXXHGVGGCD-ZVUFCXRFSA-N
Formula: C27H24O10
Molecular Weight: 508.474497
Exact Mass: 508.136947
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) | 161.4 |
| 2 (CH) | 112.2 |
| 3 (C) | 152.6 |
| 4 (CH) | 115.7 |
| 4a (C) | 141.3 |
| 5 (CH) | 120.7 |
| 6 (CH) | 135.8 |
| 7 (CH) | 116.1 |
| 8 (C) | 161.5 |
| 8a (C) | 117.2 |
| 9 (C) | 193.5 |
| 9a (C) | 115.6 |
| 10 (CH) | 42.4 |
| 10a (C) | 146 |
| 11 (CH2) | 62.1 |
| 1' (CH) | 81.6 |
| 2' (CH) | 66.8 |
| 3' (CH) | 71.9 |
| 4' (CH) | 69.4 |
| 5' (CH) | 94.7 |
| 5'a (C) | 163.4 |
| 5'b (C) | 129.2 |
| 5'c (CH) | 129.2 |
| 5'd (CH) | 128.9 |
| 5'e (CH) | 133.7 |
| 5'f (CH) | 128.9 |
| 5'g (CH) | 129.2 |
