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16.beta.-(Dichloroacetamido)-17-oxo-5.alpha.-androstan-3.beta.-yl acetate
SpectraBase Compound ID BXbgMMuW99K
InChI InChI=1S/C23H33Cl2NO4/c1-12(27)30-14-6-8-22(2)13(10-14)4-5-15-16(22)7-9-23(3)17(15)11-18(19(23)28)26-21(29)20(24)25/h13-18,20H,4-11H2,1-3H3,(H,26,29)/t13-,14-,15?,16?,17?,18-,22-,23-/m0/s1
InChIKey APQWMOLDCXMNFK-AVCMLFARSA-N
Mol Weight 458.4 g/mol
Molecular Formula C23H33Cl2NO4
Exact Mass 457.178664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiPkT2tTmIN
Name 16.beta.-(Dichloroacetamido)-17-oxo-5.alpha.-androstan-3.beta.-yl acetate
Alternate Name(s) (3beta,5alpha,16beta)-16-[(dichloroacetyl)amino]-17-oxoandrostan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33Cl2NO4
InChI InChI=1S/C23H33Cl2NO4/c1-12(27)30-14-6-8-22(2)13(10-14)4-5-15-16(22)7-9-23(3)17(15)11-18(19(23)28)26-21(29)20(24)25/h13-18,20H,4-11H2,1-3H3,(H,26,29)/t13-,14-,15?,16?,17?,18-,22-,23-/m0/s1
InChIKey APQWMOLDCXMNFK-AVCMLFARSA-N
Molecular Weight 458.426 g/mol
SMILES N(C(C(Cl)Cl)=O)[C@@]1(C([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])C1)C)=O)[H]
SPLASH splash10-0gb9-0090100000-eb9f1900437c0e9700b5
Source of Spectrum G-64-1461-7
Wiley ID 749587