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3-Hydroxy-6-oxaestra-1,3,5(10)-trien-17-one

View entire compound with spectra: 2 MS (GC)

3-Hydroxy-6-oxaestra-1,3,5(10)-trien-17-one
SpectraBase Compound ID AXo7yfcLyCY
InChI InChI=1S/C17H20O3/c1-17-7-6-11-12-3-2-10(18)8-15(12)20-9-13(11)14(17)4-5-16(17)19/h2-3,8,11,13-14,18H,4-7,9H2,1H3/t11-,13-,14+,17+/m1/s1
InChIKey QDTVCCUKAKYNDR-CVGURMSBSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dLz7iMOzFF
Name 3-Hydroxy-6-oxaestra-1,3,5(10)-trien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-17-7-6-11-12-3-2-10(18)8-15(12)20-9-13(11)14(17)4-5-16(17)19/h2-3,8,11,13-14,18H,4-7,9H2,1H3/t11-,13-,14+,17+/m1/s1
InChIKey QDTVCCUKAKYNDR-CVGURMSBSA-N
Molecular Weight 272.344 g/mol
SMILES Oc1ccc2[C@]3(CC[C@]4([C@]([C@@]3(COc2c1)[H])(CCC4=O)[H])C)[H]
SPLASH splash10-0002-0960000000-fe5e43d54718d1cff3b6
Source of Spectrum KC-0-843-3
Wiley ID 785346