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Estrone 3-methyl ether
SpectraBase Compound ID JiZUsTkPtoU
InChI InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChIKey BCWWDWHFBMPLFQ-VXNCWWDNSA-N
Mol Weight 284.4 g/mol
Molecular Formula C19H24O2
Exact Mass 284.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71eHA5hJPXO
Name Estra-1,3,5(10)-trien-17-one, 3-methoxy-
Alternate Name(s) (8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 3-Methoxyestra-1,3,5(10)-trien-17-one 3-Methoxyestrone 3-Methoxyoestra-1,3,5(10)-trien-17-one 3-O-Methylestrone Estrone 3-methyl ether Estrone methyl ether Oestrone methyl ether EINECS 216-613-3 NSC 88911
CAS Registry Number 1624-62-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O2
InChI InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
InChIKey BCWWDWHFBMPLFQ-VXNCWWDNSA-N
Molecular Weight 284.399 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CCC1=O)[H])C
SPLASH splash10-001i-0790000000-df0ce859b49e60a773c8
Source of Spectrum D8-327-640-1
Wiley ID 1515499