Spiro[cholestane-3,6-7,7-dichlorodioxepanone]

SpectraBase Compound ID	AsTFd2eIPOg
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 Google Search
Mol Weight	541.6 g/mol
Molecular Formula	C31H50Cl2O3
Exact Mass	540.313701 g/mol

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SpectraBase Spectrum ID	FILMfVrZkWE
Name	Spiro[cholestane-3,6-7,7-dichlorodioxepanone]
Alternate Name(s)	(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
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-9701020000-bcff37d1647d77eeed21
Source of Spectrum	SO-0-662-52
Wiley ID	875439