| SpectraBase Compound ID | FuN70Q6IH5t |
|---|---|
| InChI | InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1 |
| InChIKey | WDJUZGPOPHTGOT-XUDUSOBPSA-N |
| Mol Weight | 764.9 g/mol |
| Molecular Formula | C41H64O13 |
| Exact Mass | 764.434692 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | A2A2VQNCUHN |
|---|---|
| Name | Digitoxin |
| Source of Sample | Eli Lilly & Company, Indianapolis, Indiana |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H64O13 |
| InChI | InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1 |
| InChIKey | WDJUZGPOPHTGOT-XUDUSOBPSA-N |
| Melting Point | 255-256C |
| Molecular Weight | 764.951360 |
| Synonyms | DIGITOXIGENIN 3-/TRIS/DIGITOXO- SIDE// |
| Technique | KBr WAFER |