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Cholestan-11-one, 3-hydroxy-, (3.alpha.,5.alpha.)-

View entire compound with spectra: 2 MS (GC)

Cholestan-11-one, 3-hydroxy-, (3.alpha.,5.alpha.)-
SpectraBase Compound ID 4GFdoTtaT9l
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)25(21)24(29)16-27(22,23)5/h17-23,25,28H,6-16H2,1-5H3/t18-,19+,20-,21+,22-,23+,25-,26+,27-/m1/s1
InChIKey LWLSBJVWAPMGJG-GNPFSSOHSA-N
Mol Weight 402.7 g/mol
Molecular Formula C27H46O2
Exact Mass 402.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5edNOUcM1rp
Name Cholestan-11-one, 3-hydroxy-, (3.alpha.,5.alpha.)-
CAS Registry Number 69483-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2
InChI InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)13-14-26(19,4)25(21)24(29)16-27(22,23)5/h17-23,25,28H,6-16H2,1-5H3/t18-,19+,20-,21+,22-,23+,25-,26+,27-/m1/s1
InChIKey LWLSBJVWAPMGJG-GNPFSSOHSA-N
Molecular Weight 402.663 g/mol
SMILES O[C@@]1(CC[C@@]2([C@]3(C(C[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)=O)[H])C)[H]
SPLASH splash10-0udj-5962800000-9760f478deda5e4c11fd
Source of Spectrum J-44-1871-0
Synonyms (3alpha,5alpha)-3-hydroxycholestan-11-one 11-oxo-5.alpha.-cholestan-3.alpha.-ol 5.alpha.-cholestan-3.alpha.-ol-11-one
Wiley ID 1370671