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5-(3'-Hydroxyestra-1',3',5'(10')-trien-17'-yl)-2H-pyran-2-one
SpectraBase Compound ID G6L2Jb0IyCC
InChI InChI=1S/C23H26O3/c1-23-11-10-18-17-6-4-16(24)12-14(17)2-5-19(18)21(23)8-7-20(23)15-3-9-22(25)26-13-15/h3-4,6,9,12-13,18-21,24H,2,5,7-8,10-11H2,1H3/t18?,19?,20?,21?,23-/m1/s1
InChIKey BGXPNQVECOQLCX-CBRFJLGVSA-N
Mol Weight 350.46 g/mol
Molecular Formula C23H26O3
Exact Mass 350.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqWlunWBjmX
Name 5-(3'-Hydroxyestra-1',3',5'(10')-trien-17'-yl)-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O3
InChI InChI=1S/C23H26O3/c1-23-11-10-18-17-6-4-16(24)12-14(17)2-5-19(18)21(23)8-7-20(23)15-3-9-22(25)26-13-15/h3-4,6,9,12-13,18-21,24H,2,5,7-8,10-11H2,1H3/t18?,19?,20?,21?,23-/m1/s1
InChIKey BGXPNQVECOQLCX-CBRFJLGVSA-N
Molecular Weight 350.458 g/mol
SMILES Oc1ccc2C3CC[C@]4(C(C3CCc2c1)CCC4C1=COC(C=C1)=O)C
SPLASH splash10-0ik9-2942000000-b0bfe7113ac154972c6f
Source of Spectrum J-61-6697-17
Synonyms 5-[3-hydroxyestra-1,3,5(10)-trien-17-yl]-2H-pyran-2-one
Wiley ID 1342284