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Androstan-17.beta.-ol, 3.beta.-[(.alpha.-methylphenethyl)amino]-, acetate (ester), (.+-.)-
SpectraBase Compound ID GFi8tSL8YtX
InChI InChI=1S/C30H45NO2/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/h5-9,20,23-28,31H,10-19H2,1-4H3/t20?,23?,24-,25?,26?,27?,28-,29-,30-/m0/s1
InChIKey KIFOPEWPOZHERX-KFWVDCQBSA-N
Mol Weight 451.7 g/mol
Molecular Formula C30H45NO2
Exact Mass 451.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Juv5Cym4gnr
Name Androstan-17.beta.-ol, 3.beta.-[(.alpha.-methylphenethyl)amino]-, acetate (ester), (.+-.)-
CAS Registry Number 27736-64-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H45NO2
InChI InChI=1S/C30H45NO2/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/h5-9,20,23-28,31H,10-19H2,1-4H3/t20?,23?,24-,25?,26?,27?,28-,29-,30-/m0/s1
InChIKey KIFOPEWPOZHERX-KFWVDCQBSA-N
Molecular Weight 451.695 g/mol
SMILES N([C@]1(CC[C@@]2(C3CC[C@]4(C(C3CCC2C1)CC[C@@]4(OC(=O)C)[H])C)C)[H])C(Cc1ccccc1)C
SPLASH splash10-01ox-9304000000-938af430ad4ff6aed948
Source of Spectrum O-3-779-3
Synonyms (3beta,17beta)-3-[(1-methyl-2-phenylethyl)amino]androstan-17-yl acetate 3.beta.-(.alpha.-methyl-phenylethyl-amino)-androst-4-en-17.beta.-olacetate
Wiley ID 60749