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N-Butyl,N-methyl-11-(3'-methoxy-17'.beta.-hydroxy-1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)undecanamide
SpectraBase Compound ID 3JqXhFxP69k
InChI InChI=1S/C35H57NO3/c1-5-6-23-36(3)33(38)16-14-12-10-8-7-9-11-13-15-27-25-32(37)35(2)22-21-30-29-20-18-28(39-4)24-26(29)17-19-31(30)34(27)35/h18,20,24,27,30-32,34,37H,5-17,19,21-23,25H2,1-4H3/t27?,30-,31-,32+,34-,35-/m1/s1
InChIKey FFLAHJPVFDPNCJ-OMDFACSCSA-N
Mol Weight 539.8 g/mol
Molecular Formula C35H57NO3
Exact Mass 539.433845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aGeHVgHzg2
Name N-Butyl,N-methyl-11-(3'-methoxy-17'.beta.-hydroxy-1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)undecanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H57NO3
InChI InChI=1S/C35H57NO3/c1-5-6-23-36(3)33(38)16-14-12-10-8-7-9-11-13-15-27-25-32(37)35(2)22-21-30-29-20-18-28(39-4)24-26(29)17-19-31(30)34(27)35/h18,20,24,27,30-32,34,37H,5-17,19,21-23,25H2,1-4H3/t27?,30-,31-,32+,34-,35-/m1/s1
InChIKey FFLAHJPVFDPNCJ-OMDFACSCSA-N
Molecular Weight 539.845 g/mol
SMILES O[C@@]1([C@@]2([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(C(CCCCCCCCCCC(N(CCCC)C)=O)C1)[H])C)[H]
SPLASH splash10-00di-0000090000-144fab1221023111957f
Source of Spectrum F-47-7761-17
Synonyms N-butyl-11-[(14beta,17beta)-17-hydroxy-3-methoxyestra-1,3,5(10)-trien-15-yl]-N-methylundecanamide
Wiley ID 1404500