Spektraris NMR
Saptomycin A
Common Name: Saptomycin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H20O6/c1-4-6-15(25)12(3)18-10-17(27)19-11(2)9-14-21(24(19)30-18)23(29)20-13(22(14)28)7-5-8-16(20)26/h4-10,12,15,25-26H,1-3H3/b6-4-
InChIKey: InChIKey=CRCKMDDPCOAZQX-XQRVVYSFSA-N
Formula: C24H20O6
Molecular Weight: 404.412906
Exact Mass: 404.125988
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abe, N., Enoki, N., Nakakita, Y., Uchida, H., Nakamura, T., Munekata, M. J Antibiot (1993) 46, 1536-49
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Pluramycins; 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 (C) | 170.7 |
| 3 (CH) | 112.2 |
| 4 (C) | 178.8 |
| 4a (C) | 126.6 |
| 5 (C) | 150.3 |
| 6 (CH) | 125.6 |
| 6a (C) | 136 |
| 7 (C) | 181.7 |
| 7a (C) | 132.2 |
| 8 (CH) | 119.5 |
| 9 (CH) | 136.7 |
| 10 (CH) | 125.9 |
| 11 (C) | 162.8 |
| 11a (C) | 116.7 |
| 12 (C) | 187.7 |
| 12a (C) | 119.6 |
| 12b (C) | 156.5 |
| 13 (CH3) | 24.3 |
| 14 (CH) | 44.9 |
| 15 (CH3) | 13.5 |
| 16 (CH) | 68.9 |
| 17 (CH) | 128.7 |
| 18 (CH) | 130.1 |
| 19 (CH3) | 12.9 |
