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Spiro[5-.alpha.-Cholestane-3,2'-cyclopentane]-1,3-dione
SpectraBase Compound ID B8rnIDY06zm
InChI InChI=1S/C31H50O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-31(27(32)13-14-28(31)33)18-17-29(22,4)26(23)15-16-30(24,25)5/h20-26H,6-19H2,1-5H3/t21-,22+,23+,24-,25+,26+,29+,30-/m1/s1
InChIKey XPGRZLCXZXABRY-GHMIKJNZSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H50O2
Exact Mass 454.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFfdeDzmf1E
Name Spiro[5-.alpha.-Cholestane-3,2'-cyclopentane]-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O2
InChI InChI=1S/C31H50O2/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-31(27(32)13-14-28(31)33)18-17-29(22,4)26(23)15-16-30(24,25)5/h20-26H,6-19H2,1-5H3/t21-,22+,23+,24-,25+,26+,29+,30-/m1/s1
InChIKey XPGRZLCXZXABRY-GHMIKJNZSA-N
Molecular Weight 454.739 g/mol
SMILES C12(C[C@@]3(CC[C@]4([C@@]5(CC[C@@]([C@]5(CC[C@@]4([C@]3(CC2)C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C(CCC1=O)=O
SPLASH splash10-0f6x-0296500000-8c9eb331c6bb2230d323
Source of Spectrum J-59-1489-24
Synonyms (1'S,2'S,7'S,10'R,11'S,14'R,15'R)-2',15'-dimethyl-14'-[(2R)-6-methylheptan-2-yl]spiro[cyclopentane-1,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-2,5-dione
Wiley ID 1388951