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19-Norcholest-22-en-3-ol, (3.beta.,5.alpha.,22E)-
SpectraBase Compound ID BHqa2TbBStT
InChI InChI=1S/C26H44O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h5,7,17-25,27H,6,8-16H2,1-4H3/b7-5+/t18-,19+,20+,21+,22-,23-,24-,25+,26-/m1/s1
InChIKey KBCDSNLTAKWEDU-FPZOOWIRSA-N
Mol Weight 372.6 g/mol
Molecular Formula C26H44O
Exact Mass 372.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eg8GSRBj1bh
Name 19-Norcholest-22-en-3-ol, (3.beta.,5.alpha.,22E)-
Alternate Name(s) (3beta,5alpha,17beta)-17-[(1R,2E)-1,5-dimethyl-2-hexenyl]estran-3-ol
CAS Registry Number 56362-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O
InChI InChI=1S/C26H44O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h5,7,17-25,27H,6,8-16H2,1-4H3/b7-5+/t18-,19+,20+,21+,22-,23-,24-,25+,26-/m1/s1
InChIKey KBCDSNLTAKWEDU-FPZOOWIRSA-N
Molecular Weight 372.637 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](\C=C\CC(C)C)(C)[H])[H])[H])C)[H])[H])[H]
SPLASH splash10-059g-4591000000-b2a841afe243435187f7
Source of Spectrum SD-1981-0-0
Wiley ID 54657