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Cholest-8-ene-3,7-dione, (5.alpha.)-
SpectraBase Compound ID U2FZqgzeS8
InChI InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-22H,6-16H2,1-5H3/t18-,19-,21-,22+,26+,27-/m1/s1
InChIKey ANZLNWWTIRASQH-FIDDNADKSA-N
Mol Weight 398.6 g/mol
Molecular Formula C27H42O2
Exact Mass 398.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID k4Z3T6Srb
Name Cholest-8-ene-3,7-dione, (5.alpha.)-
CAS Registry Number 116506-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O2
InChI InChI=1S/C27H42O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-22H,6-16H2,1-5H3/t18-,19-,21-,22+,26+,27-/m1/s1
InChIKey ANZLNWWTIRASQH-FIDDNADKSA-N
Molecular Weight 398.631 g/mol
SMILES C12=C([C@@]3(CC[C@@]([C@]3(CC2)C)([C@@](CCCC(C)C)(C)[H])[H])[H])C(=O)C[C@@]2([C@@]1(CCC(=O)C2)C)[H]
SPLASH splash10-00ea-0495000000-e19f6617343eefbbfb14
Source of Spectrum F-44-1951-50
Synonyms (5alpha)-cholest-8-ene-3,7-dione 5.alpha.-cholest-8-ene-3,7-dione
Wiley ID 1368706