| SpectraBase Compound ID | Jt4qW0UxpzU |
|---|---|
| InChI | InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10-,15-11+/t23-,24-,25+,26+,28-,29+,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+/m0/s1 |
| InChIKey | ZAVYYYQORHVVFN-DFMOKVFQSA-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 | Jj2T0q5wJSW |
|---|---|
| Name | REDIOCIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H58O13 |
| InChI | InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10-,15-11+/t23-,24-,25+,26+,28-,29+,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44+/m0/s1 |
| InChIKey | ZAVYYYQORHVVFN-DFMOKVFQSA-N |
| Literature Reference Author | H.JAYASURIYA,D.L.ZINK,S.B.SINGH,R.P.BORRIS,W.NANAKORN,H.T.BE CK,M.J.BALICK,M.A.GO |
| Literature Reference Citation | J.AM.CHEM.SOC.,122,4998(2000) |
| Literature Reference DOI | 10.1021/ja994074q |
| Molecular Weight | 794.937 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI2029 |