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(3S)-2',2'-Dichloro-spiro[cholestane-3,1'-cyclopentan]-3'-one
SpectraBase Compound ID 9NE7f3rZWeu
InChI InChI=1S/C31H50Cl2O/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-30(16-14-27(34)31(30,32)33)18-17-28(22,4)26(23)13-15-29(24,25)5/h20-26H,6-19H2,1-5H3/t21-,22?,23+,24-,25+,26+,28+,29-,30-/m1/s1
InChIKey IZJKIMMHCPUEOS-MXZZHMFNSA-N
Mol Weight 509.6 g/mol
Molecular Formula C31H50Cl2O
Exact Mass 508.323872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dddw0HnS00s
Name (3S)-2',2'-Dichloro-spiro[cholestane-3,1'-cyclopentan]-3'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50Cl2O
InChI InChI=1S/C31H50Cl2O/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-30(16-14-27(34)31(30,32)33)18-17-28(22,4)26(23)13-15-29(24,25)5/h20-26H,6-19H2,1-5H3/t21-,22?,23+,24-,25+,26+,28+,29-,30-/m1/s1
InChIKey IZJKIMMHCPUEOS-MXZZHMFNSA-N
Molecular Weight 509.646 g/mol
SMILES [C@]12(CC[C@]3(C(C2)CC[C@]2([C@@]4(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]4(C)CC[C@]32[H])[H])[H])[H])C)C(C(CC1)=O)(Cl)Cl
SPLASH splash10-0a4i-3006090000-7d309f2a54d54510bbbc
Source of Spectrum U-1993-618-3
Synonyms (1S,1'S,2'S,10'R,11'S,14'R,15'R)-5,5-dichloro-2',15'-dimethyl-14'-[(2R)-6-methylheptan-2-yl]spiro[cyclopentane-1,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-4-one
Wiley ID 764973