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3-Methoxy-2-[3',3'-(1",5"-pentadiyl)triazenyl]estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID 9Hgpk2vUEmp
InChI InChI=1S/C24H33N3O2/c1-24-11-10-17-18(20(24)8-9-23(24)28)7-6-16-14-22(29-2)21(15-19(16)17)25-26-27-12-4-3-5-13-27/h14-15,17-18,20H,3-13H2,1-2H3/b26-25+/t17-,18+,20-,24-/m0/s1
InChIKey HHANNAYNRSIBAU-JVTMSQSLSA-N
Mol Weight 395.5 g/mol
Molecular Formula C24H33N3O2
Exact Mass 395.257277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74gWhDQqw6r
Name 3-Methoxy-2-[3',3'-(1",5"-pentadiyl)triazenyl]estra-1,3,5(10)-trien-17-one
Alternate Name(s) 3-Methoxy-2-[(E)-1-piperidinyldiazenyl]estra-1,3,5(10)-trien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33N3O2
InChI InChI=1S/C24H33N3O2/c1-24-11-10-17-18(20(24)8-9-23(24)28)7-6-16-14-22(29-2)21(15-19(16)17)25-26-27-12-4-3-5-13-27/h14-15,17-18,20H,3-13H2,1-2H3/b26-25+/t17-,18+,20-,24-/m0/s1
InChIKey HHANNAYNRSIBAU-JVTMSQSLSA-N
Molecular Weight 395.547 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])cc(\N=N\N2CCCCC2)c(c4)OC)[H])(CCC1=O)[H])C
SPLASH splash10-001i-2592000000-ae0df4aa5345062b904e
Source of Spectrum G-58-2734-0
Wiley ID 748611