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 |