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CHOLEST-5-EN-7-ONE, 3-(ACETYLOXY)-

View entire compound with spectra: 5 NMR

CHOLEST-5-EN-7-ONE, 3-(ACETYLOXY)-
SpectraBase Compound ID KGmqdvtA8Gt
InChI InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3
InChIKey PMBSWZWCNKVWLV-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EPeuT7oHoO
Name 3b-Acetoxy-cholest-5-en-7-one
CAS Registry Number 809-51-8
Comments REASSIGNED BY STOTHERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C29H46O3
InChI InChI=1S/C29H46O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-25,27H,7-16H2,1-6H3
InChIKey PMBSWZWCNKVWLV-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Dioxane