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17,17-Dichloro-16(E)-chloromethylene-3.beta.-formyloxyandrost-5-ene
SpectraBase Compound ID AkdPL54ezSg
InChI InChI=1S/C21H27Cl3O2/c1-19-7-5-15(26-12-25)9-13(19)3-4-16-17(19)6-8-20(2)18(16)10-14(11-22)21(20,23)24/h3,11-12,15-18H,4-10H2,1-2H3/b14-11+/t15-,16+,17-,18-,19-,20-/m0/s1
InChIKey PYZKABIVJLCCJW-VFSBRRSFSA-N
Mol Weight 417.8 g/mol
Molecular Formula C21H27Cl3O2
Exact Mass 416.107663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29qXONPRZXo
Name 17,17-Dichloro-16(E)-chloromethylene-3.beta.-formyloxyandrost-5-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27Cl3O2
InChI InChI=1S/C21H27Cl3O2/c1-19-7-5-15(26-12-25)9-13(19)3-4-16-17(19)6-8-20(2)18(16)10-14(11-22)21(20,23)24/h3,11-12,15-18H,4-10H2,1-2H3/b14-11+/t15-,16+,17-,18-,19-,20-/m0/s1
InChIKey PYZKABIVJLCCJW-VFSBRRSFSA-N
Molecular Weight 417.804 g/mol
SMILES C1([C@@]2([C@@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC=O)(C4)[H])C)[H])([H])C\C1=C\Cl)C)(Cl)Cl
SPLASH splash10-00di-0009000000-194018c9910edaef6240
Source of Spectrum Y1-38-281-6
Synonyms (3beta)-17,17-dichloro-16-(chloromethylene)androst-5-en-3-yl formate
Wiley ID 1527596