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des-A-10.alpha.-Cholestan-5-one
SpectraBase Compound ID GbSf4EFrIx9
InChI InChI=1S/C23H40O/c1-15(2)7-6-8-16(3)20-10-11-21-19-9-12-22(24)17(4)18(19)13-14-23(20,21)5/h15-21H,6-14H2,1-5H3/t16-,17-,18-,19-,20-,21+,23-/m1/s1
InChIKey NFAWUEPDZDFXHR-DBYLJZKCSA-N
Mol Weight 332.6 g/mol
Molecular Formula C23H40O
Exact Mass 332.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33jf4nddRc
Name des-A-10.alpha.-Cholestan-5-one
Alternate Name(s) (3R,3aR,5aS,6R,9aR,9bS)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyldodecahydro-7H-cyclopenta[a]naphthalen-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40O
InChI InChI=1S/C23H40O/c1-15(2)7-6-8-16(3)20-10-11-21-19-9-12-22(24)17(4)18(19)13-14-23(20,21)5/h15-21H,6-14H2,1-5H3/t16-,17-,18-,19-,20-,21+,23-/m1/s1
InChIKey NFAWUEPDZDFXHR-DBYLJZKCSA-N
Molecular Weight 332.572 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC([C@@]([C@]3(CC2)[H])(C)[H])=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-003r-4915000000-0517c7e418f6431a1667
Source of Spectrum G-64-110-12
Wiley ID 749532