John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=57Avd4PWMwC SpectraBase Spectrum ID=110UxIy6BDz

(accessed ).
Digitonin
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 1228.572428 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 110UxIy6BDz
Name Digitonin
Source of Sample J.T. Baker
Catalog Number 1896
Lot Number 502156
Accessory DurasamplIR II
CAS Registry Number 11024-24-1
Compound Type Pure
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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
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
SpectraBase Batch ID 9FGkzFUpAwy
Synonyms Digitin
Technique ATR-Neat (DuraSamplIR II)