| 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 |
Raman Spectrum
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| SpectraBase Spectrum ID | 6YGP1u0qyIi |
|---|---|
| Name | Digitoxin |
| Source of Sample | Sigma-Aldrich Company LLC |
| Catalog Number | D5878 |
| Lot Number | 050M1500V |
| CAS Registry Number | 71-63-6 |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 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 | 240.0 °C |
| Molecular Weight | 764.950 g/mol |
| Raman Corrections | Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source | Nd:YAG |
| Sample Description | white powder |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 5β,20(22)-Cardenolide-3β,14-diol-3-(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy |
| Technique | FT-Raman |