Spektraris NMR
Saquayamycin Z
Common Name: Saquayamycin Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C73H102O29/c1-31-43(74)13-18-54(87-31)95-47-16-21-57(90-33(47)3)100-70-39(9)94-59(26-46(70)77)101-69-38(8)86-50(25-45(69)76)40-11-12-41-62(66(40)81)67(82)42-23-24-72(84)30-71(10,29-53(78)73(72,85)63(42)68(41)83)102-58-22-17-49(35(5)91-58)97-61-28-52(65(80)37(7)93-61)99-56-20-15-48(34(4)89-56)96-60-27-51(64(79)36(6)92-60)98-55-19-14-44(75)32(2)88-55/h11-13,18,23-24,31-39,44-52,54-61,64-65,69-70,75-77,79-81,84-85H,14-17,19-22,25-30H2,1-10H3/t31-,32-,33-,34-,35-,36+,37+,38+,39-,44-,45+,46-,47-,48-,49-,50+,51+,52+,54-,55-,56-,57-,58-,59-,60-,61-,64+,65+,69+,70+,71-,72-,73-/m0/s1
InChIKey: InChIKey=RUYFKPZSFMRBNJ-KILFNUAYSA-N
Formula: C73H102O29
Molecular Weight: 1443.57642
Exact Mass: 1442.650677
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Stroch, K., Zeeck, A., Antal, N., Fiedler, H.P. J Antibiot (2005) 58, 103-10
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) | 204.8 |
| 2 (CH2) | 50.1 |
| 3 (C) | 82.4 |
| 4 (CH2) | 44.6 |
| 4a (C) | 79.9 |
| 5 (CH) | 145.5 |
| 6 (CH) | 117.4 |
| 6a (C) | 138.7 |
| 7 (C) | 188.1 |
| 7a (C) | 113.8 |
| 8 (C) | 157.9 |
| 9 (C) | 138.1 |
| 10 (CH) | 133.4 |
| 11 (CH) | 119.6 |
| 11a (C) | 130.4 |
| 12 (C) | 182.1 |
| 12a (C) | 138.8 |
| 12b (C) | 77.4 |
| 13 (CH3) | 25.3 |
| 1' (CH) | 70.9 |
| 2' (CH2) | 38.6 |
| 3' (CH) | 71.1 |
| 4' (CH) | 89.3 |
| 5' (CH) | 74.2 |
| 6' (CH3) | 18.4 |
| 1'' (CH) | 99.9 |
| 2'' (CH2) | 32.1 |
| 3'' (CH) | 66.6 |
| 4'' (CH) | 79 |
| 5'' (CH) | 64.5 |
| 6'' (CH3) | 16 |
| 1''' (CH) | 99.4 |
| 2''' (CH2) | 24.3 |
| 3''' (CH2) | 24.6 |
| 4''' (CH) | 76.2 |
| 5''' (CH) | 67 |
| 6''' (CH3) | 17.1 |
| 1'''' (CH) | 95.2 |
| 2'''' (CH) | 142.9 |
| 3'''' (CH) | 127.3 |
| 4'''' (C) | 196.7 |
| 5'''' (CH) | 70.5 |
| 6'''' (CH3) | 15.1 |
| 1''''' (CH) | 92.6 |
| 2''''' (CH2) | 24.6 |
| 3''''' (CH2) | 24.4 |
| 4''''' (CH) | 75.8 |
| 5''''' (CH) | 67.4 |
| 6''''' (CH3) | 16.9 |
| 1'''''' (CH) | 101.2 |
| 2'''''' (CH2) | 36.9 |
| 3'''''' (CH) | 80.4 |
| 4'''''' (CH) | 75.6 |
| 5'''''' (CH) | 71.7 |
| 6'''''' (CH3) | 18 |
| 1''''''' (CH) | 97.1 |
| 2''''''' (CH2) | 25 |
| 3''''''' (CH2) | 24.5 |
| 4''''''' (CH) | 75.5 |
| 5''''''' (CH) | 67.5 |
| 6''''''' (CH3) | 17 |
| 1'''''''' (CH) | 101.4 |
| 2'''''''' (CH2) | 37 |
| 3'''''''' (CH) | 80.7 |
| 4'''''''' (CH) | 75.6 |
| 5'''''''' (CH) | 71.7 |
| 6'''''''' (CH3) | 18 |
| 1''''''''' (CH) | 97.4 |
| 2''''''''' (CH2) | 24 |
| 3''''''''' (CH2) | 25.4 |
| 4''''''''' (CH) | 67 |
| 5''''''''' (CH) | 67 |
| 6''''''''' (CH3) | 17 |
