| SpectraBase Compound ID | 5x3dBDmMqSD |
|---|---|
| InChI | InChI=1S/C46H54O13/c1-23-21-30-43(51)35(23)54-31(47)20-19-29-34(53-29)33(55-39(48)27-11-7-5-8-12-27)26-17-15-25(16-18-26)22-41(3,50)45(52)36-24(2)44(30)32(37-42(4,56-37)40(43)49)38(45)58-46(57-36,59-44)28-13-9-6-10-14-28/h5-14,19-20,23-26,29-30,32-38,40,49-52H,15-18,21-22H2,1-4H3/b20-19+/t23-,24+,25?,26?,29+,30+,32-,33-,34+,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46+/m0/s1 |
| InChIKey | GBKHBDSGKZALFY-DKANODTHSA-N |
| Mol Weight | 814.9 g/mol |
| Molecular Formula | C46H54O13 |
| Exact Mass | 814.356442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5A8Ov6tCErs |
|---|---|
| Name | REDIOCIDE-D |
| Compound Number | 82 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54O13 |
| InChI | InChI=1S/C46H54O13/c1-23-21-30-43(51)35(23)54-31(47)20-19-29-34(53-29)33(55-39(48)27-11-7-5-8-12-27)26-17-15-25(16-18-26)22-41(3,50)45(52)36-24(2)44(30)32(37-42(4,56-37)40(43)49)38(45)58-46(57-36,59-44)28-13-9-6-10-14-28/h5-14,19-20,23-26,29-30,32-38,40,49-52H,15-18,21-22H2,1-4H3/b20-19+/t23-,24+,25?,26?,29+,30+,32-,33-,34+,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46+/m0/s1 |
| InChIKey | GBKHBDSGKZALFY-DKANODTHSA-N |
| Literature Reference Author | H.B.WANG,L.P.LIU,X.Y.WANG |
| Literature Reference Citation | MAGN.RES.CHEM.,51,580(2013) |
| Literature Reference DOI | 10.1002/mrc.3978 |
| Molecular Weight | 814.927 g/mol |
| Solvent | CD3CN |
| Source File Reference | UWIR13533 |