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ESTRA-4,9(10)-DIEN-3,17-DIONE
SpectraBase Compound ID XslVzXDJsw
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3
InChIKey BHTWZQKERRCPRZ-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JINFeGaarVA
Name Dienogest-A II
Classification Pharmaceutical drug artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
DEA Citation 21 CFR §1308.13 (f) (69)
DEA Controlled Substance Name 19-nor-4,9(10)-androstadienedione
DEA Controlled Substance Type Salts, esters and ethers
DEA Controlled Substances Code Number 4000
DEA Schedule Schedule III
DEA Section Anabolic Steroids. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture or preparation containing any quantity of the following substances, including its salts, esters and ethers.
Exact Mass 270.161979946 u
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3
InChIKey BHTWZQKERRCPRZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 270.372 g/mol
Nominal Mass 270 u
Quality 901
Retention Index 2072
SMILES C12(C(C3C(=C4C(CC3)=CC(CC4)=O)CC2)CCC1=O)C
SPLASH splash10-05fr-2940000000-da1aff204fdb1dd51ed3
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 11a-methyl-2,3,3a,4,5,8,9,10,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-1,7(3bH)-dione
Technique GC/MS
Wiley ID DD2024_007877