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des-A,B-18-norcholestan-8-one
SpectraBase Compound ID JQQ9ssIUwOH
InChI InChI=1S/C17H30O/c1-12(2)6-4-7-13(3)14-10-11-16-15(14)8-5-9-17(16)18/h12-16H,4-11H2,1-3H3/t13-,14?,15-,16-/m1/s1
InChIKey VFXALWQSTXQGBB-QGAIPKOMSA-N
Mol Weight 250.43 g/mol
Molecular Formula C17H30O
Exact Mass 250.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4neYrPg8pa
Name des-A,B-18-norcholestan-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O
InChI InChI=1S/C17H30O/c1-12(2)6-4-7-13(3)14-10-11-16-15(14)8-5-9-17(16)18/h12-16H,4-11H2,1-3H3/t13-,14?,15-,16-/m1/s1
InChIKey VFXALWQSTXQGBB-QGAIPKOMSA-N
Molecular Weight 250.426 g/mol
SMILES [C@]12([C@@](CCC2[C@@](CCCC(C)C)(C)[H])(C(=O)CCC1)[H])[H]
SPLASH splash10-0f79-0690000000-b73ad673985a24f50886
Source of Spectrum E1-39-4503-12
Synonyms (3aR,7aR)-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,5,6,7,7a-octahydroinden-4-one
Wiley ID 1599024