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Estrane, ethanone deriv.
SpectraBase Compound ID IyfQGfzklF7
InChI InChI=1S/C23H32O4/c1-14(24)18-13-19-15(12-21(18)27-11-10-26-3)4-5-17-16(19)8-9-23(2)20(17)6-7-22(23)25/h12-13,16-17,20,22,25H,4-11H2,1-3H3/t16?,17?,20?,22-,23-/m0/s1
InChIKey AGSMIBVCETUGSG-SNGPAJCISA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3FXBNcAlcl
Name Estrane, ethanone deriv.
Alternate Name(s) Ethanone, 1-[(17.beta.)-17-hydroxy-3-(2-methoxyethoxy)estra-1,3,5(10)-trien-2-yl]- 1-[(17beta)-17-hydroxy-3-(2-methoxyethoxy)estra-1,3,5(10)-trien-2-yl]ethanone 2-Acetylestra-1,3,5(10)-triene-3,17.beta.-diol-3-methoxyethyl ether
CAS Registry Number 119829-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-14(24)18-13-19-15(12-21(18)27-11-10-26-3)4-5-17-16(19)8-9-23(2)20(17)6-7-22(23)25/h12-13,16-17,20,22,25H,4-11H2,1-3H3/t16?,17?,20?,22-,23-/m0/s1
InChIKey AGSMIBVCETUGSG-SNGPAJCISA-N
Molecular Weight 372.505 g/mol
SMILES O[C@@]1([C@@]2(C(C3CCc4c(C3CC2)cc(C(=O)C)c(c4)OCCOC)CC1)C)[H]
SPLASH splash10-0ab9-8019000000-41437121c0f68ad227d5
Source of Spectrum B-41-1146-3
Wiley ID 1355728