SpectraBase Spectrum ID |
IUaux4mJhFy |
Name |
Spiro[cholestane-3,6-7,7-dichlorodioxepanone] |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C31H50Cl2O3 |
InChI |
InChI=1S/C31H50Cl2O3/c1-20(2)7-6-8-21(3)24-11-12-25-23-10-9-22-19-30(31(32,33)27(34)35-17-18-36-30)16-15-28(22,4)26(23)13-14-29(24,25)5/h20-26H,6-19H2,1-5H3/t21-,22?,23+,24-,25+,26+,28+,29-,30?/m1/s1 |
InChIKey |
JDCPVONTPSYYOT-WDHORBFOSA-N |
Molecular Weight |
541.644 g/mol |
SMILES |
C1(C2(CC3CC[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])OCCOC1=O)(Cl)Cl |
SPLASH |
splash10-0zfr-8904080000-9b9bf52cea6e12e2213c |
Source of Spectrum |
SO-0-663-52 |
Synonyms |
(1'S,2'S,10'R,11'S,14'R,15'R)-3,3-dichloro-2',15'-dimethyl-14'-[(2R)-6-methylheptan-2-yl]spiro[1,5-dioxepane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-4-one |
Wiley ID |
875438 |