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Estra-1(10),5-dien-17-one, 3-hydroxy-, (3.beta.)-
SpectraBase Compound ID 6fWPdPWyJDY
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,5,12,14-16,19H,3-4,6-10H2,1H3/t12-,14+,15+,16-,18-/m0/s1
InChIKey BXWICSIYVFYHOU-CWLUVXEGSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TqSUhjDsE5
Name Estra-1(10),5-dien-17-one, 3-hydroxy-, (3.beta.)-
Alternate Name(s) estra-1(10),5-dien-17-one, 3-hydroxy 3..beta.-hydroxyestra-1(10),5-diene (3beta)-3-hydroxyestra-1(10),5-dien-17-one Estra-1(10),5-dien-17-one, 3.beta.-hydroxy-
CAS Registry Number 843-81-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,5,12,14-16,19H,3-4,6-10H2,1H3/t12-,14+,15+,16-,18-/m0/s1
InChIKey BXWICSIYVFYHOU-CWLUVXEGSA-N
Molecular Weight 272.388 g/mol
SMILES O[C@]1(CC=C2C(=CC[C@]3([C@@]4(CCC([C@]4(CC[C@]23[H])C)=O)[H])[H])C1)[H]
SPLASH splash10-00di-0290000000-9bef062db1d89badbef6
Source of Spectrum KC-1990-2202-10
Wiley ID 1276605