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3.alpha.-dimethylamino-3.beta.-methylcholestane
SpectraBase Compound ID VIpyH0omlf
InChI InChI=1S/C30H55N/c1-21(2)10-9-11-22(3)25-14-15-26-24-13-12-23-20-28(4,31(7)8)18-19-29(23,5)27(24)16-17-30(25,26)6/h21-27H,9-20H2,1-8H3/t22-,23?,24+,25-,26+,27+,28-,29+,30-/m1/s1
InChIKey PIUSEFWVEFYHGT-OGYAZNDVSA-N
Mol Weight 429.8 g/mol
Molecular Formula C30H55N
Exact Mass 429.433451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1p6spd7dOy
Name 3.alpha.-dimethylamino-3.beta.-methylcholestane
Alternate Name(s) N,N-dimethyl-N-[(3alpha)-3-methylcholestan-3-yl]amine N-methyl-N-[(3alpha)-3-methylcholestan-3-yl]methanamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H55N
InChI InChI=1S/C30H55N/c1-21(2)10-9-11-22(3)25-14-15-26-24-13-12-23-20-28(4,31(7)8)18-19-29(23,5)27(24)16-17-30(25,26)6/h21-27H,9-20H2,1-8H3/t22-,23?,24+,25-,26+,27+,28-,29+,30-/m1/s1
InChIKey PIUSEFWVEFYHGT-OGYAZNDVSA-N
Molecular Weight 429.777 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@](N(C)C)(C)C4)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-03dj-9100500000-968fda3bddbdf7a7b049
Source of Spectrum PL-1982-0-0
Wiley ID 1381290