Spektraris NMR
Saquayamycin D
Common Name: Saquayamycin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H50O16/c1-18-25(44)8-10-32(53-18)57-27-9-11-33(54-20(27)3)59-41(5)16-31(46)43(51)35-24(12-13-42(43,50)17-41)37(48)34-23(38(35)49)7-6-22(36(34)47)28-15-29-39(21(4)52-28)58-40-30(56-29)14-26(45)19(2)55-40/h6-7,12-13,18-21,27-30,32-33,39-40,47,50-51H,8-11,14-17H2,1-5H3/t18-,19-,20-,21+,27-,28+,29+,30-,32-,33-,39+,40-,41-,42-,43-/m0/s1
InChIKey: InChIKey=XZOQKDMLEUWFDT-NIVOMPQSSA-N
Formula: C43H50O16
Molecular Weight: 822.84916
Exact Mass: 822.309886
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Uchida, T., Imoto, M., Watanabe, Y., Miura, K., Dobashi, T., Matsuda, N., Sawa, T., Naganawa, H., Hamada, M., Takeuchi, T. J Antibiot (1985) 38, 1171-81
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) | 204.7 |
| 2 (CH2) | 50.2 |
| 3 (C) | 82.4 |
| 4 (CH2) | 44.5 |
| 4a (C) | 79.9 |
| 5 (CH) | 145.6 |
| 6 (CH) | 117.4 |
| 6a (C) | 138.8 |
| 7 (C) | 188.3 |
| 7a (C) | 114 |
| 8 (C) | 157.9 |
| 9 (C) | 137.8 |
| 10 (CH) | 133.7 |
| 11 (CH) | 119.6 |
| 11a (C) | 130.6 |
| 12 (C) | 182.2 |
| 12a (C) | 138.9 |
| 12b (C) | 77.5 |
| 13 (CH3) | 25.5 |
| 1' (CH) | 71.5 |
| 2' (CH2) | 36.8 |
| 3' (CH) | 76.8 |
| 4' (CH) | 74.5 |
| 5' (CH) | 74.6 |
| 6' (CH3) | 17.4 |
| 1'' (CH) | 91.4 |
| 2'' (CH) | 71.24 |
| 3'' (CH2) | 40 |
| 4'' (C) | 207.6 |
| 5'' (CH) | 77.7 |
| 6'' (CH3) | 16.2 |
| 1''' (CH) | 92.6 |
| 2''' (CH2) | 24.8 |
| 3''' (CH2) | 24.7 |
| 4''' (CH) | 74.7 |
| 5''' (CH) | 67.2 |
| 6''' (CH3) | 17.1 |
| 1'''' (CH) | 99 |
| 2'''' (CH2) | 28.4 |
| 3'''' (CH2) | 33.5 |
| 4'''' (C) | 210.8 |
| 5'''' (CH) | 71.18 |
| 6'''' (CH3) | 14.9 |
