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5.alpha.-Pregn-17(20)-ene-2-carbonitrile
SpectraBase Compound ID L81Xqxj7bY
InChI InChI=1S/C22H33N/c1-4-16-8-10-19-18-9-7-17-6-5-15(14-23)13-22(17,3)20(18)11-12-21(16,19)2/h4,15,17-20H,5-13H2,1-3H3/b16-4+/t15?,17-,18+,19+,20+,21-,22+/m1/s1
InChIKey NGNXMAQBNIJIST-RAJLXVFCSA-N
Mol Weight 311.5 g/mol
Molecular Formula C22H33N
Exact Mass 311.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1x9BGaQRSUU
Name 5.alpha.-Pregn-17(20)-ene-2-carbonitrile
CAS Registry Number 68550-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H33N
InChI InChI=1S/C22H33N/c1-4-16-8-10-19-18-9-7-17-6-5-15(14-23)13-22(17,3)20(18)11-12-21(16,19)2/h4,15,17-20H,5-13H2,1-3H3/b16-4+/t15?,17-,18+,19+,20+,21-,22+/m1/s1
InChIKey NGNXMAQBNIJIST-RAJLXVFCSA-N
Molecular Weight 311.513 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC\C([C@]4(CC3)C)=C/C)[H])([H])CC[C@]2(CCC(C#N)C1)[H])[H])C
SPLASH splash10-0bt9-0914000000-cea592c7b82db811ccc8
Source of Spectrum J-44-706-0
Synonyms (5alpha,17E)-pregn-17-ene-2-carbonitrile
Wiley ID 1312743