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Pregna-3,5,17-triene
SpectraBase Compound ID 2xh87xkERZ9
InChI InChI=1S/C21H30/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h4-5,7-8,17-19H,6,9-14H2,1-3H3/b15-4+/t17?,18?,19?,20-,21+/m0/s1
InChIKey IGEJZUXMFMOMKQ-DPGHYYGNSA-N
Mol Weight 282.47 g/mol
Molecular Formula C21H30
Exact Mass 282.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsZNvoz7uIZ
Name Pregna-3,5,17-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30
InChI InChI=1S/C21H30/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h4-5,7-8,17-19H,6,9-14H2,1-3H3/b15-4+/t17?,18?,19?,20-,21+/m0/s1
InChIKey IGEJZUXMFMOMKQ-DPGHYYGNSA-N
Molecular Weight 282.471 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC=C4)C)CC\C1=C\C)C
SPLASH splash10-001i-4980000000-8c88939b16933f063918
Source of Spectrum MZ-34-4379-3
Synonyms (17E)-pregna-3,5,17-triene Pregna-3,5,7-triene
Wiley ID 1582785