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2-Amino-3-methoxyestra-1,3,5(10)-trien-17.beta.-ol
SpectraBase Compound ID DoqCVRHcGZ
InChI InChI=1S/C19H27NO2/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,21H,3-8,20H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey LLQYNNVCIMRHFL-SSTWWWIQSA-N
Mol Weight 301.43 g/mol
Molecular Formula C19H27NO2
Exact Mass 301.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4r0tqZGK4dK
Name 2-Amino-3-methoxyestra-1,3,5(10)-trien-17.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO2
InChI InChI=1S/C19H27NO2/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,21H,3-8,20H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
InChIKey LLQYNNVCIMRHFL-SSTWWWIQSA-N
Molecular Weight 301.430 g/mol
SMILES O[C@]1(CC[C@]2([C@@]3(CCc4cc(c(cc4[C@]3(CC[C@]12C)[H])N)OC)[H])[H])[H]
SPLASH splash10-0udi-0539000000-d7f8d79e4ea141cae333
Source of Spectrum G-58-2734-0
Synonyms (17beta)-2-amino-3-methoxyestra-1,3,5(10)-trien-17-ol
Wiley ID 748613