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2-.alpha.-Chlorocyanomethyl-3.alpha.-chloro-5.alpha.-cholestane
SpectraBase Compound ID JxgolTDtP2o
InChI InChI=1S/C29H47Cl2N/c1-18(2)7-6-8-19(3)23-11-12-24-21-10-9-20-15-26(30)22(27(31)17-32)16-29(20,5)25(21)13-14-28(23,24)4/h18-27H,6-16H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+,26+,27?,28-,29+/m1/s1
InChIKey IDOVHCXDEPSRAJ-FDLBRKOJSA-N
Mol Weight 480.6 g/mol
Molecular Formula C29H47Cl2N
Exact Mass 479.308556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCvAZiFfARC
Name 2-.alpha.-Chlorocyanomethyl-3.alpha.-chloro-5.alpha.-cholestane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47Cl2N
InChI InChI=1S/C29H47Cl2N/c1-18(2)7-6-8-19(3)23-11-12-24-21-10-9-20-15-26(30)22(27(31)17-32)16-29(20,5)25(21)13-14-28(23,24)4/h18-27H,6-16H2,1-5H3/t19-,20+,21+,22-,23-,24+,25+,26+,27?,28-,29+/m1/s1
InChIKey IDOVHCXDEPSRAJ-FDLBRKOJSA-N
Molecular Weight 480.608 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(C[C@](Cl)([C@@](C1)(C(C#N)Cl)[H])[H])[H])[H])C
SPLASH splash10-00b9-3009400000-d2b28bf1168c3d1a6762
Source of Spectrum F-62-1076-18
Synonyms 2.alpha.-(R)-Chlorocyanomethyl-3.alpha.-chloro-5.alpha.-cholestane Chloro[(2alpha,3alpha,5alpha)-3-chlorocholestan-2-yl]acetonitrile
Wiley ID 1632022