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16,17-seco-3-Methoxyestra-1,3,5(10)-trien-17-al-Oxime
SpectraBase Compound ID 7mDObKYtY7A
InChI InChI=1S/C20H29NO2/c1-4-5-19-18-8-6-14-12-15(23-3)7-9-16(14)17(18)10-11-20(19,2)13-21-22/h7,9,12-13,17-19,22H,4-6,8,10-11H2,1-3H3/b21-13+/t17-,18-,19?,20-/m1/s1
InChIKey SCFCGEMYSDLDSR-BUGIIYMOSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yUUvLrNXa6
Name 16,17-seco-3-Methoxyestra-1,3,5(10)-trien-17-al-Oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO2
InChI InChI=1S/C20H29NO2/c1-4-5-19-18-8-6-14-12-15(23-3)7-9-16(14)17(18)10-11-20(19,2)13-21-22/h7,9,12-13,17-19,22H,4-6,8,10-11H2,1-3H3/b21-13+/t17-,18-,19?,20-/m1/s1
InChIKey SCFCGEMYSDLDSR-BUGIIYMOSA-N
Molecular Weight 315.457 g/mol
SMILES O\N=C\[C@@]1(C([C@]2([C@@](c3c(cc(cc3)OC)CC2)(CC1)[H])[H])CCC)C
SPLASH splash10-03dj-0971000000-083654ba458e782cbdcf
Source of Spectrum U1-2009-3551-28a
Wiley ID 1696882