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Acetamide, N-[(3.beta.,5.alpha.,16.alpha.,25S)-3,16-bis(acetyloxy)-22-oxocholest an-26-yl]-
SpectraBase Compound ID LSQV0AG7LDf
InChI InChI=1S/C33H53NO6/c1-19(18-34-21(3)35)8-11-29(38)20(2)31-30(40-23(5)37)17-28-26-10-9-24-16-25(39-22(4)36)12-14-32(24,6)27(26)13-15-33(28,31)7/h19-20,24-28,30-31H,8-18H2,1-7H3,(H,34,35)/t19-,20+,24-,25-,26+,27-,28-,30+,31-,32-,33-/m0/s1
InChIKey NIOSVFPOKGMREW-GLIGCVLSSA-N
Mol Weight 559.8 g/mol
Molecular Formula C33H53NO6
Exact Mass 559.387288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzezC24DAgf
Name Acetamide, N-[(3.beta.,5.alpha.,16.alpha.,25S)-3,16-bis(acetyloxy)-22-oxocholest an-26-yl]-
CAS Registry Number 71609-98-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H53NO6
InChI InChI=1S/C33H53NO6/c1-19(18-34-21(3)35)8-11-29(38)20(2)31-30(40-23(5)37)17-28-26-10-9-24-16-25(39-22(4)36)12-14-32(24,6)27(26)13-15-33(28,31)7/h19-20,24-28,30-31H,8-18H2,1-7H3,(H,34,35)/t19-,20+,24-,25-,26+,27-,28-,30+,31-,32-,33-/m0/s1
InChIKey NIOSVFPOKGMREW-GLIGCVLSSA-N
Molecular Weight 559.788 g/mol
SMILES N(C(=O)C)C[C@](CCC([C@]([C@@]1([C@@]2([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(C[C@]1(OC(=O)C)[H])[H])C)[H])(C)[H])=O)(C)[H]
SPLASH splash10-02t9-2901210000-8e25bec08a4b6c5e25cb
Source of Spectrum B-32-605-0
Synonyms Cholestane, acetamide deriv. (25S)-26-Acetylamino-22-oxo-5.alpha.-cholestane-3.beta.,16.alpha.-diol diacetate (3beta,5alpha,16alpha,25S)-26-(acetylamino)-16-(acetyloxy)-22-oxocholestan-3-yl acetate
Wiley ID 1406669