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13-Methyl-17-hydroxy-17-acetyl-3-oxoestr-4-ene
SpectraBase Compound ID lP2GENzaNh
InChI InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20?/m0/s1
InChIKey GTFUITFQDGVJSK-CEXWFGIZSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DAuhPXCUaZB
Name 13-Methyl-17-hydroxy-17-acetyl-3-oxoestr-4-ene
Alternate Name(s) 1-(17-hydroxy-3-oxoestr-4-en-17-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20?/m0/s1
InChIKey GTFUITFQDGVJSK-CEXWFGIZSA-N
Molecular Weight 316.441 g/mol
SMILES OC1([C@@]2([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)[H])[H])(CC1)[H])C)C(=O)C
SPLASH splash10-0a5a-0290000000-1fb60b19a4b9acbc971d
Source of Spectrum CJ-1992-0-0
Wiley ID 1317079