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Estra-1,3,5(10)-triene-17-carboxaldehyde, 17-hydroxy-3-methoxy-, (17.beta.)-
SpectraBase Compound ID 1Xx95zD2sDn
InChI InChI=1S/C20H26O3/c1-19-9-7-16-15-6-4-14(23-2)11-13(15)3-5-17(16)18(19)8-10-20(19,22)12-21/h4,6,11-12,16-18,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey NWDKKHCOOYMBQI-SLHNCBLASA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChCz8z5Xviq
Name Estra-1,3,5(10)-triene-17-carboxaldehyde, 17-hydroxy-3-methoxy-, (17.beta.)-
CAS Registry Number 21887-08-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-19-9-7-16-15-6-4-14(23-2)11-13(15)3-5-17(16)18(19)8-10-20(19,22)12-21/h4,6,11-12,16-18,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey NWDKKHCOOYMBQI-SLHNCBLASA-N
Molecular Weight 314.425 g/mol
SMILES O[C@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC1)[H])C)C=O
SPLASH splash10-03fr-0398000000-dcdd078b40eec48d7f95
Source of Spectrum J-49-1381-0
Synonyms (17alpha)-17-hydroxy-3-methoxyestra-1,3,5(10)-triene-17-carbaldehyde 3-Methoxy-17-hydroxy-1,3,5(10)-androstatriene-17-carboxaldehyde Estra-1,3,5(10)-triene-17.alpha.-carboxaldehyde, 17-hydroxy-3-methoxy-
Wiley ID 1315417