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Androst-4-en-17-ol, 3-[(1-methyl-2-phenylethyl)amino]-, acetate (ester), (3.beta.,17.beta.)-
SpectraBase Compound ID 7ox6u2wVBDd
InChI InChI=1S/C30H43NO2/c1-20(18-22-8-6-5-7-9-22)31-24-14-16-29(3)23(19-24)10-11-25-26-12-13-28(33-21(2)32)30(26,4)17-15-27(25)29/h5-9,19-20,24-28,31H,10-18H2,1-4H3/t20?,24-,25?,26?,27?,28-,29-,30-/m0/s1
InChIKey QKNXQDNAMRUVNI-SVVNIIKJSA-N
Mol Weight 449.7 g/mol
Molecular Formula C30H43NO2
Exact Mass 449.32938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Hdb2sushXX
Name Androst-4-en-17-ol, 3-[(1-methyl-2-phenylethyl)amino]-, acetate (ester), (3.beta.,17.beta.)-
Alternate Name(s) (3beta,17beta)-3-[(1-methyl-2-phenylethyl)amino]androst-4-en-17-yl acetate
CAS Registry Number 55401-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H43NO2
InChI InChI=1S/C30H43NO2/c1-20(18-22-8-6-5-7-9-22)31-24-14-16-29(3)23(19-24)10-11-25-26-12-13-28(33-21(2)32)30(26,4)17-15-27(25)29/h5-9,19-20,24-28,31H,10-18H2,1-4H3/t20?,24-,25?,26?,27?,28-,29-,30-/m0/s1
InChIKey QKNXQDNAMRUVNI-SVVNIIKJSA-N
Molecular Weight 449.679 g/mol
SMILES N([C@]1(CC[C@]2(C(=C1)CCC1C3CC[C@@]([C@]3(CCC21)C)(OC(=O)C)[H])C)[H])C(Cc1ccccc1)C
SPLASH splash10-01ox-9304000000-05e7611f89002913e3fc
Source of Spectrum W5-35494-30042-30042
Wiley ID 1387505