Spektraris NMR
Vineomycin C
Common Name: Vineomycin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H42O14/c1-16-23(38)9-11-28(48-16)50-25-10-12-29(49-17(25)2)51-36-18(3)47-26(13-24(36)39)20-7-8-22-31(33(20)43)35(45)21-6-5-19(32(42)30(21)34(22)44)14-37(4,46)15-27(40)41/h5-9,11,16-18,24-26,28-29,36,39,42-43,46H,10,12-15H2,1-4H3,(H,40,41)/t16-,17-,18+,24+,25-,26+,28-,29-,36+,37+/m0/s1
InChIKey: InChIKey=OTJVABIXNWZBQE-SRLSEHIVSA-N
Formula: C37H42O14
Molecular Weight: 710.722409
Exact Mass: 710.257456
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alvi, K.A., Baker, D.D., Stienecker, V., Hosken, M., Nair, B.G. J Antibiot (2000) 53, 496-501
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) | 175.5 |
| 2 (CH2) | 45.7 |
| 3 (C) | 77 |
| 4 (CH2) | 40.8 |
| 4a (C) | 134.8 |
| 5 (CH) | 139.7 |
| 6 (CH) | 119.2 |
| 6a (C) | 138.8 |
| 7 (C) | 187.9 |
| 7a (C) | 115.5 |
| 8 (C) | 159.3 |
| 9 (C) | 138.8 |
| 10 (CH) | 133.6 |
| 11 (CH) | 119.9 |
| 11a (C) | 131.8 |
| 12 (C) | 188.2 |
| 12a (C) | 115.8 |
| 12b (C) | 161.5 |
| 13 (CH3) | 30.1 |
| 1' (CH) | 71.4 |
| 2' (CH2) | 38.1 |
| 3' (CH) | 72 |
| 4' (CH) | 89 |
| 5' (CH) | 74.9 |
| 6' (CH3) | 18.9 |
| 1'' (CH) | 99.9 |
| 2'' (CH2) | 25.5 |
| 3'' (CH2) | 24.7 |
| 4'' (CH) | 76 |
| 5'' (CH) | 68.3 |
| 6'' (CH3) | 17.4 |
| 1''' (CH) | 95.7 |
| 2''' (CH) | 143.2 |
| 3''' (CH) | 127.9 |
| 4''' (C) | 197.1 |
| 5''' (CH) | 71.1 |
| 6''' (CH3) | 15.6 |
