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N-Butyl,N-methyl-9-(3',17'.beta.-dihydroxy-1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)nonamide
SpectraBase Compound ID 5Z9kyl1Yq4U
InChI InChI=1S/C32H51NO3/c1-4-5-20-33(3)30(36)13-11-9-7-6-8-10-12-24-22-29(35)32(2)19-18-27-26-17-15-25(34)21-23(26)14-16-28(27)31(24)32/h15,17,21,24,27-29,31,34-35H,4-14,16,18-20,22H2,1-3H3/t24-,27-,28-,29+,31-,32-/m1/s1
InChIKey YTPJDBMCZRXXFB-QEIVXNGPSA-N
Mol Weight 497.8 g/mol
Molecular Formula C32H51NO3
Exact Mass 497.386895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4H12IawTPY
Name N-Butyl,N-methyl-9-(3',17'.beta.-dihydroxy-1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)nonamide
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Formula C32H51NO3
InChI InChI=1S/C32H51NO3/c1-4-5-20-33(3)30(36)13-11-9-7-6-8-10-12-24-22-29(35)32(2)19-18-27-26-17-15-25(34)21-23(26)14-16-28(27)31(24)32/h15,17,21,24,27-29,31,34-35H,4-14,16,18-20,22H2,1-3H3/t24-,27-,28-,29+,31-,32-/m1/s1
InChIKey YTPJDBMCZRXXFB-QEIVXNGPSA-N
Molecular Weight 497.764 g/mol
SMILES Oc1ccc2c(CC[C@]3([C@@]4([C@@]([C@](C[C@]4(CCCCCCCCC(N(CCCC)C)=O)[H])(O)[H])(CC[C@]23[H])C)[H])[H])c1
SPLASH splash10-001i-0090300000-92135dfb3e0a607fbf72
Source of Spectrum F-47-7761-5
Synonyms N-butyl-9-[(14beta,15beta,17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-15-yl]-N-methylnonanamide
Wiley ID 1398445