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17-(trans-2-Iodoethenyl)-5.alpha.-androstane
SpectraBase Compound ID GGA1lG7SLls
InChI InChI=1S/C21H33I/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h11,14-19H,3-10,12-13H2,1-2H3/b14-11+/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChIKey PNOSYNWTRSHNDA-DSPXJWQGSA-N
Mol Weight 412.4 g/mol
Molecular Formula C21H33I
Exact Mass 412.162696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DooMEfZY9vj
Name 17-(trans-2-Iodoethenyl)-5.alpha.-androstane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33I
InChI InChI=1S/C21H33I/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h11,14-19H,3-10,12-13H2,1-2H3/b14-11+/t15-,16+,17+,18-,19+,20+,21-/m1/s1
InChIKey PNOSYNWTRSHNDA-DSPXJWQGSA-N
Molecular Weight 412.399 g/mol
SMILES [C@@]12([C@@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])(CC[C@]1(\C=C\I)[H])[H])C
SPLASH splash10-0a4i-9000000000-22f568f35774d33914da
Source of Spectrum QB-19-764-0
Synonyms (5alpha,14beta,17alpha,20E)-21-iodopregn-20-ene
Wiley ID 842084