| SpectraBase Compound ID | 57Avd4PWMwC |
|---|---|
| InChI | InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53?,54-,55+,56-/m1/s1 |
| InChIKey | UVYVLBIGDKGWPX-RBAGWTCESA-N |
| Mol Weight | 1229.3 g/mol |
| Molecular Formula | C56H92O29 |
| Exact Mass | 1228.572427 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ku23JaHNJAn |
|---|---|
| Name | Digitonin |
| Source of Sample | J.T. Baker |
| Catalog Number | 1896 |
| Lot Number | 502156 |
| CAS Registry Number | 11024-24-1 |
| Classification | non-ionic detergent |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C56H92O29 |
| InChI | InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53?,54-,55+,56-/m1/s1 |
| InChIKey | UVYVLBIGDKGWPX-RBAGWTCESA-N |
| Melting Point | 230.0 - 240.0 °C |
| Molecular Weight | 1229.323 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 | Digitin |
| Technique | FT-Raman |