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5-Methyl-19-nor-5.beta.,9.beta.-pregnan-20-one
SpectraBase Compound ID AEXmnw4ls8J
InChI InChI=1S/C21H34O/c1-14(22)17-7-8-19-16-9-12-20(2)11-5-4-6-18(20)15(16)10-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16-,17-,18-,19+,20+,21-/m1/s1
InChIKey QKYIYCNAYGVNOW-YCEXZFRFSA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7rwyKXq3e7
Name 5-Methyl-19-nor-5.beta.,9.beta.-pregnan-20-one
Alternate Name(s) 1-[(5beta,9beta,17beta)-5-methylestran-17-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O
InChI InChI=1S/C21H34O/c1-14(22)17-7-8-19-16-9-12-20(2)11-5-4-6-18(20)15(16)10-13-21(17,19)3/h15-19H,4-13H2,1-3H3/t15-,16-,17-,18-,19+,20+,21-/m1/s1
InChIKey QKYIYCNAYGVNOW-YCEXZFRFSA-N
Molecular Weight 302.502 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@@]3(CC2)[H])(CCCC4)[H])C)[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-0uxr-0095000000-5e47f3c92307a20b8037
Source of Spectrum G-63-1556-6
Wiley ID 749344