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3-Methoxy-4-[3',3'-(1",5"-pentadiyl)triazenyl]estra-1,3,5(10)-trien-17.beta.-ol
SpectraBase Compound ID IPG2U5MuoxJ
InChI InChI=1S/C24H35N3O2/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/h8,10,17-18,20,22,28H,3-7,9,11-15H2,1-2H3/b26-25+/t17-,18-,20+,22+,24+/m1/s1
InChIKey UZWHSXIPWLXPFK-OZKITRGRSA-N
Mol Weight 397.6 g/mol
Molecular Formula C24H35N3O2
Exact Mass 397.272927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeNO1nJUUGL
Name 3-Methoxy-4-[3',3'-(1",5"-pentadiyl)triazenyl]estra-1,3,5(10)-trien-17.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35N3O2
InChI InChI=1S/C24H35N3O2/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/h8,10,17-18,20,22,28H,3-7,9,11-15H2,1-2H3/b26-25+/t17-,18-,20+,22+,24+/m1/s1
InChIKey UZWHSXIPWLXPFK-OZKITRGRSA-N
Molecular Weight 397.563 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4\N=N\N2CCCCC2)[H])(CC1)[H])C)[H]
SPLASH splash10-000i-3892000000-330b2281c547ada98c09
Source of Spectrum G-58-2735-0
Synonyms (17beta)-3-methoxy-4-[(E)-1-piperidinyldiazenyl]estra-1,3,5(10)-trien-17-ol
Wiley ID 748608