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5-ALPHA-CHOLESTAN-2-ONE
SpectraBase Compound ID Je2uWcXYPq5
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28)17-27(20,5)25(22)15-16-26(23,24)4/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey RHEVDIMHCWCAIX-JCVJIKLGSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7X7dVwGqcl
Name (5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
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Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-13-14-24-22-12-10-20-9-11-21(28)17-27(20,5)25(22)15-16-26(23,24)4/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26-,27+/m1/s1
InChIKey RHEVDIMHCWCAIX-JCVJIKLGSA-N
Molecular Weight 386.664 g/mol
SMILES C1C(C[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)=O
SPLASH splash10-053m-9287000000-43ccf0094d49cf00f362
Source of Spectrum U-1995-895-10
Synonyms (5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
Wiley ID 766876