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5.alpha.-Cholestan-3.beta.-amine
SpectraBase Compound ID DrOjisXj6Hp
InChI InChI=1S/C27H49N/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17,28H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey RJNGJYWAIUJHOJ-QCYZZNICSA-N
Mol Weight 387.7 g/mol
Molecular Formula C27H49N
Exact Mass 387.386501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UTk3HbslTA
Name (3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
CAS Registry Number 2206-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H49N
InChI InChI=1S/C27H49N/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25H,6-17,28H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey RJNGJYWAIUJHOJ-QCYZZNICSA-N
Molecular Weight 387.696 g/mol
SMILES N[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-052f-9202000000-e0fa8a73f714169c7a43
Source of Spectrum B-32-815-0
Synonyms (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amine
Wiley ID 1363501