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3-Methoxyestra-1,3,5(10),16-tetraene-17-carbonitrile
SpectraBase Compound ID 6VKhpx0ciir
InChI InChI=1S/C20H23NO/c1-20-10-9-17-16-7-5-15(22-2)11-13(16)3-6-18(17)19(20)8-4-14(20)12-21/h4-5,7,11,17-19H,3,6,8-10H2,1-2H3/t17-,18-,19+,20-/m1/s1
InChIKey ZJSJATZOQCCLMX-YSTOQKLRSA-N
Mol Weight 293.41 g/mol
Molecular Formula C20H23NO
Exact Mass 293.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55Qf9jKlQx1
Name 3-Methoxyestra-1,3,5(10),16-tetraene-17-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO
InChI InChI=1S/C20H23NO/c1-20-10-9-17-16-7-5-15(22-2)11-13(16)3-6-18(17)19(20)8-4-14(20)12-21/h4-5,7,11,17-19H,3,6,8-10H2,1-2H3/t17-,18-,19+,20-/m1/s1
InChIKey ZJSJATZOQCCLMX-YSTOQKLRSA-N
Literature Reference DOI 10.1002_(SICI)1522-2675(19981216)81_12_2264
Molecular Weight 293.410 g/mol
SMILES c1(ccc2[C@]3(CC[C@@]4(C(=CC[C@]4([C@@]3(CCc2c1)[H])[H])C#N)C)[H])OC
SPLASH splash10-0006-3690000000-fbbe134f23a4aa2ed376
Source of Spectrum H-81-2268-7
Synonyms (8S,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthrene-17-carbonitrile
Wiley ID 1787470