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16.alpha.-Hydroxy-11.beta.-ethyl-13.beta.-3-(tetrahydropyran-2-yloxy)estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID JAX55w4nAEH
InChI InChI=1S/C25H34O4/c1-3-15-14-25(2)20(13-21(26)24(25)27)19-9-7-16-12-17(8-10-18(16)23(15)19)29-22-6-4-5-11-28-22/h8,10,12,15,19-23,26H,3-7,9,11,13-14H2,1-2H3/t15-,19?,20?,21+,22?,23?,25-/m0/s1
InChIKey MLYKUKSNBVASKM-CLLUQPQZSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B8HhRddsRbi
Name 16.alpha.-Hydroxy-11.beta.-ethyl-13.beta.-3-(tetrahydropyran-2-yloxy)estra-1,3,5(10)-trien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-3-15-14-25(2)20(13-21(26)24(25)27)19-9-7-16-12-17(8-10-18(16)23(15)19)29-22-6-4-5-11-28-22/h8,10,12,15,19-23,26H,3-7,9,11,13-14H2,1-2H3/t15-,19?,20?,21+,22?,23?,25-/m0/s1
InChIKey MLYKUKSNBVASKM-CLLUQPQZSA-N
Molecular Weight 398.543 g/mol
SMILES O[C@]1(C([C@@]2(C(C3CCc4c(C3[C@](C2)(CC)[H])ccc(OC2OCCCC2)c4)C1)C)=O)[H]
SPLASH splash10-02gd-3973000000-10b0bab37fafb063a34c
Source of Spectrum E1-36-1626-3
Synonyms (11beta,16alpha)-11-ethyl-16-hydroxy-3-(tetrahydro-2H-pyran-2-yloxy)estra-1,3,5(10)-trien-17-one 16.alpha.-Hydroxy-11.beta.-ethyl-3-(tetrahydropyran-2-yloxy)estra-1,3,5(10)-trien-17-one
Wiley ID 1574670