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Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
SpectraBase Compound ID m4vZEEELLn
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
InChIKey WDJUZGPOPHTGOT-UHFFFAOYSA-N
Mol Weight 765.0 g/mol
Molecular Formula C41H64O13
Exact Mass 764.434692 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eVFGWFoPlN
Name DIGITOXIN-ARTIFACT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
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
InChIKey WDJUZGPOPHTGOT-UHFFFAOYSA-N
Instrument Name DI
Molecular Weight 764.950 g/mol
SMILES OC12C3CCC4CC(OC5OC(C(C(O)C5)OC5OC(C)C(OC6OC(C)C(O)C(O)C6)C(O)C5)C)CCC4(C3CCC1(C(CC2)C1=CC(=O)OC1)C)C
SPLASH splash10-01pn-8932000000-fb900bdfeb7ed5979bb5
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany