Spektraris NMR
Saquayamycin A
Common Name: Saquayamycin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H48O16/c1-19-26(44)8-11-32(54-19)57-29-10-13-34(56-21(29)3)59-41(5)17-31(47)43(52)36-25(14-15-42(43,51)18-41)38(49)35-24(39(36)50)7-6-23(37(35)48)30-16-28(46)40(22(4)53-30)58-33-12-9-27(45)20(2)55-33/h6-9,11-12,14-15,19-22,28-30,32-34,40,46,48,51-52H,10,13,16-18H2,1-5H3/t19-,20-,21-,22+,28+,29-,30+,32-,33-,34-,40+,41-,42-,43-/m0/s1
InChIKey: InChIKey=PSCPFFPJZFSAMI-USAPNZCCSA-N
Formula: C43H48O16
Molecular Weight: 820.833279
Exact Mass: 820.294235
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) | 188.2 |
| 7a (C) | 114 |
| 8 (C) | 158 |
| 9 (C) | 138.2 |
| 10 (CH) | 133.5 |
| 11 (CH) | 119.6 |
| 11a (C) | 130.5 |
| 12 (C) | 182.2 |
| 12a (C) | 138.9 |
| 12b (C) | 77.4 |
| 13 (CH3) | 25.5 |
| 1' (CH) | 71.1 |
| 2' (CH2) | 38.9 |
| 3' (CH) | 71.3 |
| 4' (CH) | 89.3 |
| 5' (CH) | 74.4 |
| 6' (CH3) | 18.4 |
| 1'' (CH) | 95.2 |
| 2'' (CH) | 142.1 |
| 3'' (CH) | 127.3 |
| 4'' (C) | 195.1 |
| 5'' (CH) | 71.6 |
| 6'' (CH3) | 15.2 |
| 1''' (CH) | 92.4 |
| 2''' (CH2) | 24.7 |
| 3''' (CH2) | 24.5 |
| 4''' (CH) | 76.2 |
| 5''' (CH) | 67 |
| 6''' (CH3) | 17.1 |
| 1'''' (CH) | 95.3 |
| 2'''' (CH) | 143 |
| 3'''' (CH) | 127.3 |
| 4'''' (C) | 196.7 |
| 5'''' (CH) | 70.7 |
| 6'''' (CH3) | 15.1 |
