Spektraris NMR
4''-epi-validamycin A
Common Name: 4''-epi-validamycin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1
InChIKey: InChIKey=JARYYMUOCXVXNK-CSLFJTBJSA-N
Formula: C20H35N1O13
Molecular Weight: 497.491651
Exact Mass: 497.21084
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Higo, N., Tokuda, H., Ukiya, M., Akazawa, H., Tochigi, Y., Kimura, Y., Suzuki, T., Nishino, H. J Nat Prod (2008) 71, 1233-9
Species:
Notes: Family : Alkaloids, Type : Aminocyclitols; 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) | 52.3 |
| 2 (CH) | 72.6 |
| 3 (CH) | 73.6 |
| 4 (CH) | 71.4 |
| 5 (C) | 139.1 |
| 6 (CH) | 123.1 |
| 7 (CH2) | 61.5 |
| 1' (CH) | 53.7 |
| 2' (CH) | 73.1 |
| 3' (CH) | 71.2 |
| 4' (CH) | 83.8 |
| 5' (CH) | 37.4 |
| 6' (CH2) | 26.8 |
| 7' (CH2) | 61.7 |
| 1'' (CH) | 103.3 |
| 2'' (CH) | 69.4 |
| 3'' (CH) | 72.7 |
| 4'' (CH) | 68.5 |
| 5'' (CH) | 75.3 |
| 6'' (CH2) | 60.9 |
