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N-Butyl,N-methyl-11-(3',17'.beta.-dihydroxy-1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)undecanamide
SpectraBase Compound ID KB8QRea3Z8A
InChI InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-26-24-31(37)34(2)21-20-29-28-19-17-27(36)23-25(28)16-18-30(29)33(26)34/h17,19,23,26,29-31,33,36-37H,4-16,18,20-22,24H2,1-3H3/t26?,29-,30-,31?,33-,34-/m1/s1
InChIKey UGGHRIHHSKDVFF-DSYPYMIKSA-N
Mol Weight 525.8 g/mol
Molecular Formula C34H55NO3
Exact Mass 525.418195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4S2cr32srOF
Name N-Butyl,N-methyl-11-(3',17'.beta.-dihydroxy-1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)undecanamide
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Formula C34H55NO3
InChI InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-26-24-31(37)34(2)21-20-29-28-19-17-27(36)23-25(28)16-18-30(29)33(26)34/h17,19,23,26,29-31,33,36-37H,4-16,18,20-22,24H2,1-3H3/t26?,29-,30-,31?,33-,34-/m1/s1
InChIKey UGGHRIHHSKDVFF-DSYPYMIKSA-N
Molecular Weight 525.818 g/mol
SMILES Oc1ccc2c(CC[C@]3([C@@]4([C@@](C(CC4CCCCCCCCCCC(N(CCCC)C)=O)O)(CC[C@]23[H])C)[H])[H])c1
SPLASH splash10-0006-9014050000-82f240a388b6c5495ba1
Source of Spectrum F-47-7761-6
Synonyms N-butyl-11-[(14beta)-3,17-dihydroxyestra-1,3,5(10)-trien-15-yl]-N-methylundecanamide
Wiley ID 1402695