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27-NOR-CHOLEST-5-EN-22-YN-3-BETA-OL
SpectraBase Compound ID FqB6vEzUQhJ
InChI InChI=1S/C26H40O/c1-5-6-7-8-18(2)22-11-12-23-21-10-9-19-17-20(27)13-15-25(19,3)24(21)14-16-26(22,23)4/h9,18,20-24,27H,5-6,10-17H2,1-4H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey YLNMYGXINSEKNJ-XSLNCIIRSA-N
Mol Weight 368.6 g/mol
Molecular Formula C26H40O
Exact Mass 368.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XWFdj7onXo
Name 27-Norcholest-5-en-22-yn-3-ol, (3.beta.)-
CAS Registry Number 112468-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O
InChI InChI=1S/C26H40O/c1-5-6-7-8-18(2)22-11-12-23-21-10-9-19-17-20(27)13-15-25(19,3)24(21)14-16-26(22,23)4/h9,18,20-24,27H,5-6,10-17H2,1-4H3/t18-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey YLNMYGXINSEKNJ-XSLNCIIRSA-N
Molecular Weight 368.605 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](C#CCCC)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-014i-0039000000-2179b0c068409518ca7a
Source of Spectrum F-44-1146-8
Synonyms (1S,2R,5S,10S,11S,14R,15S)-14-[(2S)-hept-3-yn-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-ol 27-nor cholest-5-en-22-yn-3.beta.-ol
Wiley ID 1353452