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Cholest-2-ene
SpectraBase Compound ID FPStj44Yyn9
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,19-25H,8-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey UTGYMZAUDAYPOM-XWLABEFZSA-N
Mol Weight 370.7 g/mol
Molecular Formula C27H46
Exact Mass 370.359951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCiQVqxKPcK
Name (5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Alternate Name(s) (5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CAS Registry Number 570-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46
InChI InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,19-25H,8-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey UTGYMZAUDAYPOM-XWLABEFZSA-N
Molecular Weight 370.665 g/mol
SMILES C1=CC[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C
SPLASH splash10-0aou-9224000000-5505cea4a32723ac01d3
Source of Spectrum U-1995-894-7
Wiley ID 766879