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A-Nor-5-.alpha.-cholestan-1,2-dione
SpectraBase Compound ID 9lbZqchKRm
InChI InChI=1S/C26H42O2/c1-16(2)7-6-8-17(3)20-11-12-21-19-10-9-18-15-23(27)24(28)26(18,5)22(19)13-14-25(20,21)4/h16-22H,6-15H2,1-5H3/t17-,18+,19+,20?,21?,22?,25-,26+/m1/s1
InChIKey RNCXACQAGFCYHV-HEYOFFQWSA-N
Mol Weight 386.6 g/mol
Molecular Formula C26H42O2
Exact Mass 386.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fCPOWnUiVa
Name A-Nor-5-.alpha.-cholestan-1,2-dione
Alternate Name(s) (3aS,5aR,8bS,10aS)-6-[(1R)-1,5-dimethylhexyl]-3a,5a-dimethyltetradecahydrodicyclopenta[a,f]naphthalene-2,3-dione
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Formula C26H42O2
InChI InChI=1S/C26H42O2/c1-16(2)7-6-8-17(3)20-11-12-21-19-10-9-18-15-23(27)24(28)26(18,5)22(19)13-14-25(20,21)4/h16-22H,6-15H2,1-5H3/t17-,18+,19+,20?,21?,22?,25-,26+/m1/s1
InChIKey RNCXACQAGFCYHV-HEYOFFQWSA-N
Molecular Weight 386.620 g/mol
SMILES [C@@]12(C3[C@@](C4CCC([C@]4(CC3)C)[C@@](CCCC(C)C)(C)[H])([H])CC[C@]2(CC(C1=O)=O)[H])C
SPLASH splash10-014i-0009000000-abc930c37d7bda620427
Source of Spectrum I-69-792-3
Wiley ID 1362962