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13-(1',3'-Dioxolan-2'-yl)-3-oxo-16,17-seco-17-nor-androst-5-ene-16-nitrile
SpectraBase Compound ID 7VkzJWCQLMy
InChI InChI=1S/C21H29NO3/c1-20-8-5-15(23)13-14(20)3-4-16-17(20)6-9-21(2,18(16)7-10-22)19-24-11-12-25-19/h13,16-19H,3-9,11-12H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1
InChIKey NHVNYXUDSKXFMJ-CEJNIXRPSA-N
Mol Weight 343.47 g/mol
Molecular Formula C21H29NO3
Exact Mass 343.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gg9dZcgc27y
Name 13-(1',3'-Dioxolan-2'-yl)-3-oxo-16,17-seco-17-nor-androst-5-ene-16-nitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO3
InChI InChI=1S/C21H29NO3/c1-20-8-5-15(23)13-14(20)3-4-16-17(20)6-9-21(2,18(16)7-10-22)19-24-11-12-25-19/h13,16-19H,3-9,11-12H2,1-2H3/t16?,17?,18?,20-,21-/m0/s1
InChIKey NHVNYXUDSKXFMJ-CEJNIXRPSA-N
Molecular Weight 343.467 g/mol
SMILES [C@@]12(C(=CC(CC2)=O)CCC2C1CC[C@@](C1OCCO1)(C)C2CC#N)C
SPLASH splash10-00di-9001000000-db36734634f2f98c9065
Source of Spectrum G-73-629-4
Synonyms 2-[(2S,4bR)-2-(1,3-dioxolan-2-yl)-2,4b-dimethyl-7-oxo-3,4,4a,5,6,9,10,10a-octahydro-1H-phenanthren-1-yl]acetonitrile 2-[(2S,4bR)-2-(1,3-dioxolan-2-yl)-2,4b-dimethyl-7-oxidanylidene-3,4,4a,5,6,9,10,10a-octahydro-1H-phenanthren-1-yl]ethanenitrile
Wiley ID 1693176