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3β-hydroxycholest-5-en-7-one, acetate

View entire compound with spectra: 3 NMR, 1 FTIR, 1 UV-Vis, and 1 MS (GC)

3β-hydroxycholest-5-en-7-one, acetate
SpectraBase Compound ID 8g8QbvNOMhM
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/t19-,22+,23-,24+,25+,27+,28+,29-/m1/s1
InChIKey PMBSWZWCNKVWLV-OLVLZXMISA-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 IFv2REfnKwQ
Name 3-BETA-ACETOXY-CHOLEST-5-EN-7-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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/t19-,22+,23-,24+,25+,27+,28+,29-/m1/s1
InChIKey PMBSWZWCNKVWLV-OLVLZXMISA-N
Literature Reference Author L.R.GALAGOVSKY,G.BURTON,E.G.GROS
Literature Reference Citation Z.NATURFORSCH.,44B,806(1989)
Molecular Weight 442.682 g/mol
Solvent CDCl3
Source File Reference UWED6970