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3,5a-Cyclo-cholestan-6-one
SpectraBase Compound ID HZyvFB0iVU9
InChI InChI=1S/C27H44O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23H,6-16H2,1-5H3
InChIKey PAFPYXSFFACISZ-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AfB2tkbGMTs
Name 3,5a-Cyclo-cholestan-6-one
Comments FROM SMITH,J.MAGN.RES.12,15(1973)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27-16-19(27)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-23H,6-16H2,1-5H3
InChIKey PAFPYXSFFACISZ-UHFFFAOYSA-N
Instrument Name Varian HA-100
Literature Reference W.B. Smith, Org. Magn. Resonance 9, 645 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3