1-Pentanone, 1-[(5.alpha.)-androstan-17-yl]-

SpectraBase Compound ID	K1mbUjL7FR5
InChI	InChI=1S/C24H40O/c1-4-5-9-22(25)21-13-12-19-18-11-10-17-8-6-7-15-23(17,2)20(18)14-16-24(19,21)3/h17-21H,4-16H2,1-3H3/t17-,18+,19+,20+,21?,23+,24+/m1/s1
InChIKey	UJUGBFVTKVONOW-CZIKMZBGSA-N Google Search
Mol Weight	344.6 g/mol
Molecular Formula	C24H40O
Exact Mass	344.307916 g/mol

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SpectraBase Spectrum ID	8sW7TJKyZH7
Name	1-Pentanone, 1-[(5.alpha.)-androstan-17-yl]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	344.307915907 u
Formula	C24H40O
InChI	InChI=1S/C24H40O/c1-4-5-9-22(25)21-13-12-19-18-11-10-17-8-6-7-15-23(17,2)20(18)14-16-24(19,21)3/h17-21H,4-16H2,1-3H3/t17-,18+,19+,20+,21?,23+,24+/m1/s1
InChIKey	UJUGBFVTKVONOW-CZIKMZBGSA-N
Molecular Weight	344.583 g/mol
SMILES	C[C@]12[C@]([C@]3([C@](CC2)([C@]2(C)[C@@](CC3)(CCCC2)[H])[H])[H])(CCC1C(CCCC)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.936208