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N-Butyl,N-methyl-11-(3'-methoxy-17'-oxo-1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)-undecanamide
SpectraBase Compound ID HItuS8YpzvY
InChI InChI=1S/C35H55NO3/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/h18,20,24,27,30-31,34H,5-17,19,21-23,25H2,1-4H3/t27?,30-,31-,34-,35-/m1/s1
InChIKey UUSDYLDCJOPYLI-PXNXBYCMSA-N
Mol Weight 537.8 g/mol
Molecular Formula C35H55NO3
Exact Mass 537.418195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNg21vzSszL
Name N-Butyl,N-methyl-11-(3'-methoxy-17'-oxo-1',3',5'(10')-estratrien-15'(.alpha.,beta.)-yl)-undecanamide
Alternate Name(s) N-butyl-11-[(14beta)-3-methoxy-17-oxoestra-1,3,5(10)-trien-15-yl]-N-methylundecanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H55NO3
InChI InChI=1S/C35H55NO3/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/h18,20,24,27,30-31,34H,5-17,19,21-23,25H2,1-4H3/t27?,30-,31-,34-,35-/m1/s1
InChIKey UUSDYLDCJOPYLI-PXNXBYCMSA-N
Molecular Weight 537.829 g/mol
SMILES [C@@]12([C@@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(C(CCCCCCCCCCC(N(CCCC)C)=O)CC1=O)[H])C
SPLASH splash10-000i-0001090000-4af876b39a7df9e47796
Source of Spectrum F-47-7760-15
Wiley ID 1404229