Spektraris NMR
Rabelomycin
Common Name: Rabelomycin
Synonyms: Rabelomycin
CAS Registry Number:
InChI: InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1
InChIKey: InChIKey=JJOLHRYZQSDLSA-LJQANCHMSA-N
Formula: C19H14O6
Molecular Weight: 338.311582
Exact Mass: 338.079038
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Imamura, N., Kakinuma, K., Ikekawa, N., Tanaka, H., Omura, S. J Antibiot (1982) 35, 602-8
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Angucyclines; 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) | 197.8 |
| 2 (CH2) | 53.8 |
| 3 (C) | 71.6 |
| 4 (CH2) | 44.5 |
| 4a (C) | 151.9 |
| 5 (CH) | 124.3 |
| 6 (C) | 163.9 |
| 6a (C) | 115.4 |
| 7 (C) | 192.6 |
| 7a (C) | 117 |
| 8 (C) | 162.1 |
| 9 (CH) | 122.3 |
| 10 (CH) | 138 |
| 11 (CH) | 120 |
| 11a (C) | 129.1 |
| 12 (C) | 183.9 |
| 12a (C) | 135.8 |
| 12b (C) | 138 |
| 13 (CH3) | 29.4 |
