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A-Homo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestan-6.alpha.-ol
SpectraBase Compound ID Jq2KbwLx1ox
InChI InChI=1S/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-27-19(15-24(27)28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20?,21-,22+,23?,24-,25-,26-,27-/m1/s1
InChIKey LTBIHZIPTAZRKG-PRQTVDNBSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOJk0SwbzuY
Name A-Homo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestan-6.alpha.-ol
Alternate Name(s) A-Homo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestane-6-.alpha.-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-27-19(15-24(27)28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19-,20?,21-,22+,23?,24-,25-,26-,27-/m1/s1
InChIKey LTBIHZIPTAZRKG-PRQTVDNBSA-N
Molecular Weight 386.664 g/mol
SMILES O[C@]1([C@]23[C@@](C4CC[C@]5([C@](C4C3)(CC[C@@]5([C@@](CCCC(C)C)(C)[H])[H])[H])C)(CC[C@@]2(C1)[H])C)[H]
SPLASH splash10-0006-0009000000-e5cc70e1cd2c03f9c11b
Source of Spectrum J-64-113-26
Wiley ID 1529184