Spektraris NMR
Dioxamycin
Common Name: Dioxamycin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H40O15/c1-18-23(51-26(39)10-8-6-5-7-9-24-19(2)52-36(4,53-24)34(45)46)13-14-25(50-18)20-11-12-21-27(29(20)40)30(41)22-15-16-37(48)17-35(3,47)32(43)33(44)38(37,49)28(22)31(21)42/h5-12,15-16,18-19,23-25,32,40,43,47-49H,13-14,17H2,1-4H3,(H,45,46)/b6-5+,9-7+,10-8+/t18-,19?,23+,24?,25?,32?,35-,36?,37?,38?/m1/s1
InChIKey: InChIKey=HWMMBHOXHRVLCU-FXTWSULJSA-N
Formula: C38H40O15
Molecular Weight: 736.716668
Exact Mass: 736.236721
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Sawa, R., Matsuda, N., Uchida, T., Ikeda, T., Sawa, T., Naganawa, H., Hamada, M., Takeuchi, T. J Antibiot (1991) 44, 396-402
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) | 206.4 |
| 2 (CH) | 82.8 |
| 3 (C) | 77 |
| 4 (CH2) | 45.5 |
| 4a (C) | 77.4 |
| 5 (CH) | 147.6 |
| 6 (CH) | 117.6 |
| 6a (C) | 139.4 |
| 7 (C) | 189.7 |
| 7a (C) | 115.3 |
| 8 (C) | 158.9 |
| 9 (C) | 139.7 |
| 10 (CH) | 134.5 |
| 11 (CH) | 120.2 |
| 11a (C) | 132 |
| 12 (C) | 183.7 |
| 12a (C) | 139.9 |
| 12b (C) | 78.3 |
| 13 (CH3) | 21.8 |
| 1' (CH) | 74.5 |
| 2' (CH2) | 32.5 |
| 3' (CH2) | 30.6 |
| 4' (CH) | 74.7 |
| 5' (CH) | 77.5 |
| 6' (CH3) | 18.7 |
| 1'' (C) | 167.8 |
| 2'' (CH) | 122.4 |
| 3'' (CH) | 146.1 |
| 4'' (CH) | 132.4 |
| 5'' (CH) | 141 |
| 6'' (CH) | 134.6 |
| 7'' (CH) | 133.9 |
| 8'' (CH) | 85.8 |
| 9'' (CH) | 79.2 |
| 10'' (C) | 106.3 |
| 11'' (CH3) | 16.7 |
| 12'' (C) | 173.9 |
| 13'' (CH3) | 23.4 |
