| SpectraBase Compound ID | BEjcUmM8niT |
|---|---|
| InChI | InChI=1S/C44H58O13/c1-23(2)19-32(47)52-29-13-9-10-14-31(46)53-34-24(3)20-30-41(34,50)38(48)40(22-45)36(54-40)33-37-43(51,39(5,49)21-26-15-17-27(29)18-16-26)35-25(4)42(30,33)57-44(55-35,56-37)28-11-7-6-8-12-28/h6-14,23-27,29-30,33-38,45,48-51H,15-22H2,1-5H3/b13-9-,14-10+/t24-,25+,26?,27?,29+,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+/m0/s1 |
| InChIKey | QVIUACDGRCSSBR-BLHXLCCSSA-N |
| Mol Weight | 794.9 g/mol |
| Molecular Formula | C44H58O13 |
| Exact Mass | 794.387742 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96acNeVXj4j |
|---|---|
| Name | REDIOCIDE-B |
| Compound Number | 81 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H58O13 |
| InChI | InChI=1S/C44H58O13/c1-23(2)19-32(47)52-29-13-9-10-14-31(46)53-34-24(3)20-30-41(34,50)38(48)40(22-45)36(54-40)33-37-43(51,39(5,49)21-26-15-17-27(29)18-16-26)35-25(4)42(30,33)57-44(55-35,56-37)28-11-7-6-8-12-28/h6-14,23-27,29-30,33-38,45,48-51H,15-22H2,1-5H3/b13-9-,14-10+/t24-,25+,26?,27?,29+,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+/m0/s1 |
| InChIKey | QVIUACDGRCSSBR-BLHXLCCSSA-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 | 794.937 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR13532 |