(3S)-spiro[Cholestane-3,1'-cyclopentan]-3'-one

SpectraBase Compound ID	4Lzewd47Lx1
InChI	InChI=1S/C31H52O/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-19-31(16-13-24(32)20-31)18-17-29(23,4)28(25)14-15-30(26,27)5/h21-23,25-28H,6-20H2,1-5H3/t22-,23?,25+,26-,27+,28+,29+,30-,31-/m1/s1
InChIKey	BQZKZHSNIFFQNY-SCNGEVNCSA-N Google Search
Mol Weight	440.8 g/mol
Molecular Formula	C31H52O
Exact Mass	440.401816 g/mol

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SpectraBase Spectrum ID	58ik5kPltga
Name	(3S)-spiro[Cholestane-3,1'-cyclopentan]-3'-one
Alternate Name(s)	(1S,1'S,2'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]-4-one
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H52O
InChI	InChI=1S/C31H52O/c1-21(2)7-6-8-22(3)26-11-12-27-25-10-9-23-19-31(16-13-24(32)20-31)18-17-29(23,4)28(25)14-15-30(26,27)5/h21-23,25-28H,6-20H2,1-5H3/t22-,23?,25+,26-,27+,28+,29+,30-,31-/m1/s1
InChIKey	BQZKZHSNIFFQNY-SCNGEVNCSA-N
Molecular Weight	440.756 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)CC(CC1)=O
SPLASH	splash10-000f-0060900000-e46ddba299b0b005b3d6
Source of Spectrum	U-1993-618-4
Wiley ID	764972