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Androsterone acetate
SpectraBase Compound ID FNXrjzfWZW7
InChI InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-/m0/s1
InChIKey FDCINQSOYQUNKB-XVYLQWLCSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8G4hsQItEZc
Name Androsterone AC
CAS Registry Number 1482-78-6
Classification Pharmaceutical drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 332.235144887 u
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-/m0/s1
InChIKey FDCINQSOYQUNKB-XVYLQWLCSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 332.484 g/mol
Nominal Mass 332 u
Quality 912
Retention Index 2639
SMILES [C@]12([C@@]([C@@]3([C@@](CC2)(C[C@@](CC3)(OC(=O)C)[H])[H])C)(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H]
SPLASH splash10-052f-9780000000-2cf8823de12812532bbd
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms [(3R,5S,8R,9S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydro-\rcyclopenta[a]-phenanthren-3-yl] acetate
Technique GC/MS
Wiley ID DD2024_012082