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1,3-Di-tert-butyl-1-((4aR,4bS,6aS,7S,9aS,9bR,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl)urea

View entire compound with spectra: 1 MS (GC)

1,3-Di-tert-butyl-1-((4aR,4bS,6aS,7S,9aS,9bR,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl)urea
SpectraBase Compound ID 2K6MrWlNVFY
InChI InChI=1S/C28H49N3O2/c1-25(2,3)29-24(33)31(26(4,5)6)22-13-11-19-18-10-12-21-27(7,17-15-23(32)30(21)9)20(18)14-16-28(19,22)8/h18-22H,10-17H2,1-9H3,(H,29,33)/t18?,19?,20?,21?,22-,27+,28-/m1/s1
InChIKey HYUBLJNCTMKLJZ-HSPNBRAUSA-N
Mol Weight 459.7 g/mol
Molecular Formula C28H49N3O2
Exact Mass 459.382478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7c6T4d0zJNi
Name 1,3-Di-tert-butyl-1-((4aR,4bS,6aS,7S,9aS,9bR,11aR)-1,4a,6a-trimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinolin-7-yl)urea
Alternate Name(s) 17.beta.-(Ureylene-N,N'-dibutyl)-4-methyl-4-aza-5-alpha.-androstan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H49N3O2
InChI InChI=1S/C28H49N3O2/c1-25(2,3)29-24(33)31(26(4,5)6)22-13-11-19-18-10-12-21-27(7,17-15-23(32)30(21)9)20(18)14-16-28(19,22)8/h18-22H,10-17H2,1-9H3,(H,29,33)/t18?,19?,20?,21?,22-,27+,28-/m1/s1
InChIKey HYUBLJNCTMKLJZ-HSPNBRAUSA-N
Molecular Weight 459.719 g/mol
SMILES N(C(N([C@]1([C@]2(C(C3CCC4N(C)C(CC[C@]4(C3CC2)C)=O)CC1)C)[H])C(C)(C)C)=O)C(C)(C)C
SPLASH splash10-03di-0902200000-26a325db010d18106aae
Source of Spectrum G2-5-309-3j
Wiley ID 1705347