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3-Methoxy-4-[3',3'-(1",5"-pentadiyl)triazenyl]estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID 9bLxkoV29Ki
InChI InChI=1S/C24H33N3O2/c1-24-13-12-17-16-8-10-21(29-2)23(25-26-27-14-4-3-5-15-27)19(16)7-6-18(17)20(24)9-11-22(24)28/h8,10,17-18,20H,3-7,9,11-15H2,1-2H3/b26-25+/t17-,18-,20+,24+/m1/s1
InChIKey CZOLGWGHQXZZIB-FGUJOMGOSA-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 H0ehDSXpYMN
Name 3-Methoxy-4-[3',3'-(1",5"-pentadiyl)triazenyl]estra-1,3,5(10)-trien-17-one
Alternate Name(s) 3-Methoxy-4-[(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/c1-24-13-12-17-16-8-10-21(29-2)23(25-26-27-14-4-3-5-15-27)19(16)7-6-18(17)20(24)9-11-22(24)28/h8,10,17-18,20H,3-7,9,11-15H2,1-2H3/b26-25+/t17-,18-,20+,24+/m1/s1
InChIKey CZOLGWGHQXZZIB-FGUJOMGOSA-N
Molecular Weight 395.547 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4\N=N\N2CCCCC2)[H])(CCC1=O)[H])C
SPLASH splash10-01q9-1394000000-17e2cc6e24d33b7df2d9
Source of Spectrum G-58-2734-0
Wiley ID 748610