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17-.alpha.-Ethyl-3-methoxy-estra-1,3,5(10),7(8)-tetraene-14.alpha.,17.beta.-diol
SpectraBase Compound ID 5Urc5AQxDOZ
InChI InChI=1S/C21H28O3/c1-4-20(22)11-12-21(23)18-8-5-14-13-15(24-3)6-7-16(14)17(18)9-10-19(20,21)2/h6-8,13,17,22-23H,4-5,9-12H2,1-3H3/t17-,19-,20+,21-/m1/s1
InChIKey OMDNAXISQDGNMK-AYWYSENESA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zJvlAqBn0F
Name 17-.alpha.-Ethyl-3-methoxy-estra-1,3,5(10),7(8)-tetraene-14.alpha.,17.beta.-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-4-20(22)11-12-21(23)18-8-5-14-13-15(24-3)6-7-16(14)17(18)9-10-19(20,21)2/h6-8,13,17,22-23H,4-5,9-12H2,1-3H3/t17-,19-,20+,21-/m1/s1
InChIKey OMDNAXISQDGNMK-AYWYSENESA-N
Molecular Weight 328.452 g/mol
SMILES O[C@@]1([C@]2(CC[C@@]3(c4ccc(cc4CC=C3[C@@]2(CC1)O)OC)[H])C)CC
SPLASH splash10-01t9-0009000000-e758de7e6fadc8fde078
Source of Spectrum F9-1993-211-18
Synonyms (17beta)-17-ethyl-3-methoxyestra-1,3,5(10),7-tetraene-14,17-diol 17.alpha.-Ethyl-3-methoxy-estra-1,3,5(10),7(8)-tetraen-14.alpha.,17.beta.-diol
Wiley ID 1566697